Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate

HCID 53729

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Basic information

CAS: 77711-55-8
Standard SMILES: CC[NH+](CC)CC(=O)Nc1ccc(Sc2ccccc2)cc1.O=C([O-])C(=O)O
InChIKey: RWOWDHGGFAHHJV-UHFFFAOYSA-N
Molecular formula: C20H24N2O5S
Average molar mass: 404.5 g/mol
Monoisotopic mass: 404.14059304

Names & identifiers

Preferred name: Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate
IUPAC: diethyl-[2-oxo-2-(4-phenylsulfanylanilino)ethyl]azanium;2-hydroxy-2-oxoacetate

Names & synonyms

77711-55-8ACETANILIDE, 2-(DIETHYLAMINO)-4'-(PHENYLTHIO)-, OXALATE2-(Diethylamino)-4'-(phenylthio)-acetanilide oxalateDTXSID10228339RefChem:315718DTXCID80150830N,N-Diethyl-2-oxo-2-[4-(phenylsulfanyl)anilino]ethan-1-aminium hydrogen ethanedioate

Database identifiers

CAS: 77711-55-8
PubChem CID: 53729
DTXSID: DTXSID10228339

Properties

Computed structural properties

Topological polar surface area: 136 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 28
Formal charge: 0
Complexity: 397

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