General Information of the Compound
Compound ID
CP0897849
Compound Name
N-benzyl-2-(N-(2-ethylphenyl)-4-methylphenylsulfonamido)acetamide
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Structure
Formula
C24H26N2O3S
Molecular Weight
422.55
Canonical SMILES
CCc1ccccc1N(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C)cc1
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InChI
InChI=1S/C24H26N2O3S/c1-3-21-11-7-8-12-23(21)26(30(28,29)22-15-13-19(2)14-16-22)18-24(27)25-17-20-9-5-4-6-10-20/h4-16H,3,17-18H2,1-2H3,(H,25,27)
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InChIKey
MDFMAFZXRKAGSN-UHFFFAOYSA-N
Physicochemical Property
logP
4.06912
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
66.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 1000070
ChEMBL ID
CHEMBL410957
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: PT01205, Prostaglandin E2 receptor EP1 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 63.1 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 223.87 nM
   TI
   LI
   LO
   TS