General Information of the Compound
Compound ID
CP0461418
Compound Name
N-[2-(4-tert-butylphenyl)ethyl]propane-2-sulfonamide
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Structure
Formula
C15H25NO2S
Molecular Weight
283.437
Canonical SMILES
CC(C)S(=O)(=O)NCCc1ccc(cc1)C(C)(C)C
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InChI
InChI=1S/C15H25NO2S/c1-12(2)19(17,18)16-11-10-13-6-8-14(9-7-13)15(3,4)5/h6-9,12,16H,10-11H2,1-5H3
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InChIKey
PLCMJFLHYDHUBK-UHFFFAOYSA-N
Physicochemical Property
logP
2.8544
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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).

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PubChem ID
CID: 10660661
SID: 15693037
ChEMBL ID
CHEMBL337092
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 = 12800 nM
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