General Information of the Compound
Compound ID
CP0536594
Compound Name
N-benzyl-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
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Structure
Formula
C19H18N2O3S2
Molecular Weight
386.498
Canonical SMILES
CN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
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InChI
InChI=1S/C19H18N2O3S2/c1-21(14-15-6-3-2-4-7-15)19(22)16-9-11-17(12-10-16)20-26(23,24)18-8-5-13-25-18/h2-13,20H,14H2,1H3
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InChIKey
LAVCNMCLMYEWTG-UHFFFAOYSA-N
Physicochemical Property
logP
3.8211
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
66.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 17646732
ChEMBL ID
CHEMBL3355481
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 = 2320 nM
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   LI
   LO
   TS