General Information of the Compound
Compound ID
CP0399302
Compound Name
2-(4-chlorophenylsulfonyl)-2-methyl-N-(5-methylthiazol-2-yl)propanamide
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Structure
Formula
C14H15ClN2O3S2
Molecular Weight
358.872
Canonical SMILES
Cc1cnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)s1
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InChI
InChI=1S/C14H15ClN2O3S2/c1-9-8-16-13(21-9)17-12(18)14(2,3)22(19,20)11-6-4-10(15)5-7-11/h4-8H,1-3H3,(H,16,17,18)
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InChIKey
GSHYOAZTBVECBL-UHFFFAOYSA-N
Physicochemical Property
logP
3.29592
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
76.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 44569590
ChEMBL ID
CHEMBL466823
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS