N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide

HCID 4045486

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Basic information

CAS: 561061-08-3
Standard SMILES: COc1ccc(NC(=O)Cc2cccs2)cc1S(=O)(=O)N1CCCCC1
InChIKey: DSMPFPPBXGVFPL-UHFFFAOYSA-N
Molecular formula: C18H22N2O4S2
Average molar mass: 394.5 g/mol
Monoisotopic mass: 394.10209953

Names & identifiers

Preferred name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
IUPAC: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide

Names & synonyms

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamideMLS002252235CHEMBL1868343DTXSID501329903HMS3092O14AKOS017061768561061-08-3SMR001314583Z28621847N-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]-2-(thiophen-2-yl)acetamide

Database identifiers

CAS: 561061-08-3
PubChem CID: 4045486
DTXSID: DTXSID501329903
ChEMBL: CHEMBL1868343

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 112 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 26
Formal charge: 0
Complexity: 572

Experimental & physicochemical properties

Solubility44.4 [ug/mL] (The mean of the results at pH 7.4)

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