N-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide

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Basic information

CAS: 731817-10-0
Standard SMILES: CC(=O)Nc1ccc(SCC(=O)c2cc(C)ccc2C)cc1
InChIKey: TWEIMZZOZHODOG-UHFFFAOYSA-N
Molecular formula: C18H19NO2S
Average molar mass: 313.4 g/mol
Monoisotopic mass: 313.11365002

Names & identifiers

Preferred name: N-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide
IUPAC: N-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide

Names & synonyms

N-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamideMLS001172448CHEMBL1730823DTXSID801321584HMS2896M03AKOS017023266731817-10-0SMR000589899AB00722038-01Z25065520N-(4-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}phenyl)acetamide

Database identifiers

CAS: 731817-10-0
PubChem CID: 2409282
DTXSID: DTXSID801321584
ChEMBL: CHEMBL1730823

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 71.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 391

Experimental & physicochemical properties

Solubility28 [ug/mL] (The mean of the results at pH 7.4)

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Compound notes

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