General Information of the Compound
Compound ID
CP0475002
Compound Name
N-ethyl-2-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
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Structure
Formula
C18H23NO2S
Molecular Weight
317.454
Canonical SMILES
CCN(Cc1cccs1)C(=O)C(C)(C)Oc1ccc(C)cc1
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InChI
InChI=1S/C18H23NO2S/c1-5-19(13-16-7-6-12-22-16)17(20)18(3,4)21-15-10-8-14(2)9-11-15/h6-12H,5,13H2,1-4H3
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InChIKey
AXEZSDNDFNGYHC-UHFFFAOYSA-N
Physicochemical Property
logP
4.26262
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 67511509
ChEMBL ID
CHEMBL4069157
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 = 10988 nM
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