General Information of the Compound
Compound ID
CP0555147
Compound Name
N-benzyl-N-[2-(dimethylamino)ethyl]-4-(phenylsulfamoyl)benzamide
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Structure
Formula
C24H27N3O3S
Molecular Weight
437.565
Canonical SMILES
CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
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InChI
InChI=1S/C24H27N3O3S/c1-26(2)17-18-27(19-20-9-5-3-6-10-20)24(28)21-13-15-23(16-14-21)31(29,30)25-22-11-7-4-8-12-22/h3-16,25H,17-19H2,1-2H3
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InChIKey
KRFJFFSNMVTINU-UHFFFAOYSA-N
Physicochemical Property
logP
3.6914
Rotatable Bonds
9
Heavy Atom Count
31
Polar Areas
69.72
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 118720907
ChEMBL ID
CHEMBL3355510
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 = 160 nM
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