Basic information
- CAS
54805-46-8- Standard SMILES
CCOC(=O)CCCN(c1sc(C)c(-c2ccccc2)c1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1- InChIKey
VEFSREGXRAZJHY-UHFFFAOYSA-N- Molecular formula
- C27H31NO6S2
- Average molar mass
- 529.7 g/mol
- Monoisotopic mass
- 529.15928006
Names & identifiers
- Preferred name
- Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate
- IUPAC
- ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-5-methyl-4-phenylthiophene-3-carboxylate
Names & synonyms
54805-46-8Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylateNSC165985NSC 165985DTXSID60203297NSC-165985ethyl 2-[(4-ethoxy-4-oxo-butyl)-(p-tolylsulfonyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylateEthyl 2-[N-(4-ethoxy-4-oxobutyl)-4-methylbenzene-1-sulfonamido]-5-methyl-4-phenylthiophene-3-carboxylate
Database identifiers
- CAS
54805-46-8- PubChem CID
- 296133
- DTXSID
DTXSID60203297
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 815
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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