General Information of the Compound
Compound ID
CP0474340
Compound Name
2-(3,4-dimethoxy-N-p-tolylphenylsulfonamido)-N,N-diethylacetamide
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Structure
Formula
C21H28N2O5S
Molecular Weight
420.531
Canonical SMILES
CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1
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InChI
InChI=1S/C21H28N2O5S/c1-6-22(7-2)21(24)15-23(17-10-8-16(3)9-11-17)29(25,26)18-12-13-19(27-4)20(14-18)28-5/h8-14H,6-7,15H2,1-5H3
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InChIKey
XYNNXNVPFFLPEB-UHFFFAOYSA-N
Physicochemical Property
logP
3.07592
Rotatable Bonds
9
Heavy Atom Count
29
Polar Areas
76.15
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 3119056
ChEMBL ID
CHEMBL510425
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: PT01132, Orexin receptor type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 19 nM
   TI
   LI
   LO
   TS
Protein ID: PT02001, Orexin/Hypocretin receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS