N-[4-[(4-acetamidophenyl)sulfanyl-phenylmethyl]sulfanylphenyl]acetamide

HCID 269653

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Basic information

CAS: 81279-54-1
Standard SMILES: CC(=O)Nc1ccc(SC(Sc2ccc(NC(C)=O)cc2)c2ccccc2)cc1
InChIKey: QXERZFWEORAAKI-UHFFFAOYSA-N
Molecular formula: C23H22N2O2S2
Average molar mass: 422.6 g/mol
Monoisotopic mass: 422.1122703

Names & identifiers

Preferred name: N-[4-[(4-acetamidophenyl)sulfanyl-phenylmethyl]sulfanylphenyl]acetamide
IUPAC: N-[4-[(4-acetamidophenyl)sulfanyl-phenylmethyl]sulfanylphenyl]acetamide

Names & synonyms

MLS00270425681279-54-1NSC111103CHEMBL1710142DTXSID00296704NSC-111103SMR001570959DS-002304N,N'-[(Phenylmethylene)bis(sulfanediyl-4,1-phenylene)]diacetamideN-[4-[(4-acetamidophenyl)sulfanyl-phenyl-methyl]sulfanylphenyl]acetamide

Database identifiers

CAS: 81279-54-1
PubChem CID: 269653
DTXSID: DTXSID00296704
ChEMBL: CHEMBL1710142

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 109 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 485

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