General Information of the Compound
Compound ID
CP0053074
Compound Name
N-benzyl-N-methyl-4-(phenylsulfamoyl)benzamide
    Show/Hide
Structure
Formula
C21H20N2O3S
Molecular Weight
380.469
Canonical SMILES
CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
    Show/Hide
InChI
InChI=1S/C21H20N2O3S/c1-23(16-17-8-4-2-5-9-17)21(24)18-12-14-20(15-13-18)27(25,26)22-19-10-6-3-7-11-19/h2-15,22H,16H2,1H3
    Show/Hide
InChIKey
UNWYGJWQCPQFQS-UHFFFAOYSA-N
Physicochemical Property
logP
3.7596
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
66.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 27666048
ChEMBL ID
CHEMBL3355482
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 = 39 nM
   TI
   LI
   LO
   TS