General Information of the Compound
Compound ID
CP0054271
Compound Name
2-(2-chloro-N-methylsulfonylanilino)-N-phenylacetamide
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Structure
Formula
C15H15ClN2O3S
Molecular Weight
338.816
Canonical SMILES
CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1Cl
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InChI
InChI=1S/C15H15ClN2O3S/c1-22(20,21)18(14-10-6-5-9-13(14)16)11-15(19)17-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)
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InChIKey
ALGXISBPUKJBRP-UHFFFAOYSA-N
Physicochemical Property
logP
2.7447
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
66.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 4384110
SID: 163525148
ChEMBL ID
CHEMBL2208408
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS