General Information of the Compound
Compound ID
CP0319380
Compound Name
N-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
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Structure
Formula
C15H17NO2S
Molecular Weight
275.373
Canonical SMILES
CN(Cc1cccs1)C(=O)COc1ccc(C)cc1
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InChI
InChI=1S/C15H17NO2S/c1-12-5-7-13(8-6-12)18-11-15(17)16(2)10-14-4-3-9-19-14/h3-9H,10-11H2,1-2H3
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InChIKey
OGHNCTXZHWGXKY-UHFFFAOYSA-N
Physicochemical Property
logP
3.09392
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
29.54
Hydrogen Bond Donor Count
0
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).

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PubChem ID
CID: 67511212
ChEMBL ID
CHEMBL4100340
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: PT03065, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 400 nM
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