Basic information
- CAS
6078-91-7- Standard SMILES
CCc1ccccc1NC(=O)c1c(NC(=O)Cc2ccccc2)sc(-c2ccccc2)c1C- InChIKey
SOIRZMBYTXYCDF-UHFFFAOYSA-N- Molecular formula
- C28H26N2O2S
- Average molar mass
- 454.6 g/mol
- Monoisotopic mass
- 454.17149925
Names & identifiers
- Preferred name
- N-(2-Ethylphenyl)-4-methyl-5-phenyl-2-(2-phenylacetamido)thiophene-3-carboxamide
- IUPAC
- N-(2-ethylphenyl)-4-methyl-5-phenyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxamide
Names & synonyms
6078-91-7N-(2-ETHYLPHENYL)-4-METHYL-5-PHENYL-2-(2-PHENYLACETAMIDO)THIOPHENE-3-CARBOXAMIDEST016129N-(2-ethylphenyl)-4-methyl-5-phenyl-2-[(phenylacetyl)amino]-3-thiophenecarboxamideCBMicro_044903Oprea1_139825DTXSID60367444STK385316AKOS001620924N-(2-ethylphenyl)-4-methyl-5-phenyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxamideBIM-0044967.P001CS-0289004
Show more names
SR-01000440024SR-01000440024-1N-(2-ethylphenyl)-4-methyl-5-phenyl-2-[(phenylacetyl)amino]thiophene-3-carboxamideN-{3-[N-(2-ethylphenyl)carbamoyl]-4-methyl-5-phenyl(2-thienyl)}-2-phenylacetam ide
Database identifiers
- CAS
6078-91-7- PubChem CID
- 2267482
- DTXSID
DTXSID60367444
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 644
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…