N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide

HCID 4882299

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Basic information

CAS: 1008012-68-7
Standard SMILES: CC(C(=O)Nc1ccc(Cl)cc1)N(C)Cc1cccs1
InChIKey: OXWACPHCWQPXQX-UHFFFAOYSA-N
Molecular formula: C15H17ClN2OS
Average molar mass: 308.8 g/mol
Monoisotopic mass: 308.075012

Names & identifiers

Preferred name: N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
IUPAC: N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide

Names & synonyms

N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamideMLS001176830CHEMBL1387031DTXSID601324968HMS1737J17HMS2898O20AKOS0343547381008012-68-7SMR000592186Z44562460N-(4-Chlorophenyl)-N~2~-methyl-N~2~-[(thiophen-2-yl)methyl]alaninamide

Database identifiers

CAS: 1008012-68-7
PubChem CID: 4882299
DTXSID: DTXSID601324968
ChEMBL: CHEMBL1387031

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 60.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 321

Experimental & physicochemical properties

Solubility13.4 [ug/mL] (The mean of the results at pH 7.4)

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