General Information of the Compound
Compound ID
CP0398507
Compound Name
2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)-4-piperidinyl]-N-phenylpropanamide
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Synonyms
Chronogesic
N-(4-(Methoxymethyl)-1-(2-(2-thienyl)ethyl)-4-piperidinyl)-N-phenylpropanamide
N-(4-(Methoxymethyl)-1-(2-(2-thienyl)ethyl)-4-piperidyl)propionanilide
N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
N-{4-(methoxymethyl)-1-[2-(2-thienyl)ethyl]piperidin-4-yl}-N-phenylpropanamide
N-{4-[(methyloxy)methyl]-1-[2-(2-thienyl)ethyl]piperidin-4-yl}-N-phenylpropanamide
R 30730
R-30730
Sufenta (TN)
Sufentanil
Sufentanil (USAN/INN)
Sufentanil [USAN:BAN:INN]
Sufentanilum
Sufentanilum [INN-Latin]
Sufentanyl
Sufentil (TN)
Sulfentanil
Sulfentanyl
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Structure
Formula
C22H30N2O2S
Molecular Weight
386.561
Canonical SMILES
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1
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InChI
InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3
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InChIKey
GGCSSNBKKAUURC-UHFFFAOYSA-N
CAS
56030-54-7
Physicochemical Property
logP
4.2148
Rotatable Bonds
8
Heavy Atom Count
27
Polar Areas
32.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
27

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 41693
SID: 14804981
ChEMBL ID
CHEMBL658
DrugBank ID
DB00708
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03795, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 19360 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Sufentanil )
Drug Name Sufentanil
Company Janssen Pharmaceutica
Indication
Analgesia
Approved