General Information of the Compound
Compound ID
CP0501832
Compound Name
N-[2-(4-thiophen-3-ylphenyl)propyl]methanesulfonamide
    Show/Hide
Structure
Formula
C14H17NO2S2
Molecular Weight
295.429
Canonical SMILES
CC(CNS(C)(=O)=O)c1ccc(cc1)-c1ccsc1
    Show/Hide
InChI
InChI=1S/C14H17NO2S2/c1-11(9-15-19(2,16)17)12-3-5-13(6-4-12)14-7-8-18-10-14/h3-8,10-11,15H,9H2,1-2H3
    Show/Hide
InChIKey
AVBQYBDVMGZFKN-UHFFFAOYSA-N
Physicochemical Property
logP
3.0678
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 10685310
SID: 15718886
ChEMBL ID
CHEMBL137789
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: PT03593, Glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 4500 nM
   TI
   LI
   LO
   TS