Ethyl 2-[(4-methylbenzene-1-sulfonyl)amino]-4-phenylthiophene-3-carboxylate

HCID 278787

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Basic information

CAS: 53976-14-0
Standard SMILES: CCOC(=O)c1c(-c2ccccc2)csc1NS(=O)(=O)c1ccc(C)cc1
InChIKey: OFPLMICETODTQS-UHFFFAOYSA-N
Molecular formula: C20H19NO4S2
Average molar mass: 401.5 g/mol
Monoisotopic mass: 401.07555043

Names & identifiers

Preferred name: Ethyl 2-[(4-methylbenzene-1-sulfonyl)amino]-4-phenylthiophene-3-carboxylate
IUPAC: ethyl 2-[(4-methylphenyl)sulfonylamino]-4-phenylthiophene-3-carboxylate

Names & synonyms

53976-14-0NSC128713Oprea1_335956CHEMBL5484984DTXSID40299193AKOS002955557Ethyl 2-[(4-methylbenzene-1-sulfonyl)amino]-4-phenylthiophene-3-carboxylateNSC-128713Ethyl 2-(4-methylbenzene-1-sulfonamido)-4-phenylthiophene-3-carboxylate

Database identifiers

CAS: 53976-14-0
PubChem CID: 278787
DTXSID: DTXSID40299193
ChEMBL: CHEMBL5484984

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 109 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 590

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