General Information of the Compound
Compound ID
CP0542243
Compound Name
N-methyl-N-[(1R)-1-phenylethyl]-4-(phenylsulfamoyl)benzamide
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Structure
Formula
C22H22N2O3S
Molecular Weight
394.496
Canonical SMILES
C[C@@H](N(C)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1)c1ccccc1
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InChI
InChI=1S/C22H22N2O3S/c1-17(18-9-5-3-6-10-18)24(2)22(25)19-13-15-21(16-14-19)28(26,27)23-20-11-7-4-8-12-20/h3-17,23H,1-2H3/t17-/m1/s1
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InChIKey
WGWSXJXDEVNYRU-QGZVFWFLSA-N
Physicochemical Property
logP
4.3206
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
66.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 25348412
ChEMBL ID
CHEMBL3355506
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: PT01347, LIM domain kinase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 120 nM
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