Acetanilide, 4'-(p-chlorophenylthio)-2-(diethylamino)-N-methyl-, oxalate

HCID 58628

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Basic information

CAS: 101651-67-6
Standard SMILES: CC[NH+](CC)CC(=O)N(C)c1ccc(Sc2ccc(Cl)cc2)cc1.O=C([O-])C(=O)O
InChIKey: CSBQUHDTOUATGO-UHFFFAOYSA-N
Molecular formula: C21H25ClN2O5S
Average molar mass: 453 g/mol
Monoisotopic mass: 452.1172708

Names & identifiers

Preferred name: Acetanilide, 4'-(p-chlorophenylthio)-2-(diethylamino)-N-methyl-, oxalate
IUPAC: [2-[4-(4-chlorophenyl)sulfanyl-N-methylanilino]-2-oxoethyl]-diethylazanium;2-hydroxy-2-oxoacetate
English name: [[4-(4-chlorophenyl)sulfanylphenyl]-methyl-carbamoyl]methyl-diethyl-az anium, 2-hydroxy-2-oxo-acetate
Molecular formula: C21H25ClN2O5S
Molecular weight: 0

Names & synonyms

101651-67-6ACETANILIDE, 4'-(p-CHLOROPHENYLTHIO)-2-(DIETHYLAMINO)-N-METHYL-, OXALATEDTXSID201440964'-(p-Chlorophenylthio)-2-(diethylamino)-N-methyl-acetanilide oxalateN-((Diethylamino)acetyl)-N-methyl-2-((4-chlorophenyl)thio)phenylamine oxalateRefChem:315799DTXCID00665872-[{4-[(4-Chlorophenyl)sulfanyl]phenyl}(methyl)amino]-N,N-diethyl-2-oxoethan-1-aminium hydrogen ethanedioate[2-[4-(4-Chlorophenyl)sulfanyl-N-methylanilino]-2-oxoethyl]-diethylazanium[[4-(4-chlorophenyl)sulfanylphenyl]-methyl-carbamoyl]methyl-diethyl-az anium, 2-hydroxy-2-oxo-acetate

Database identifiers

CAS: 101651-67-6
PubChem CID: 58628
DTXSID: DTXSID20144096

Properties

Computed structural properties

Topological polar surface area: 127 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 0
Complexity: 454

Chemistry & industry

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