Basic information
- CAS
371139-68-3- Standard SMILES
CN(C)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2cccs2)cc1- InChIKey
YDDYJLIFVMDVNQ-VZCXRCSSSA-N- Molecular formula
- C23H27N3O6S2
- Average molar mass
- 505.6 g/mol
- Monoisotopic mass
- 505.13412794
Names & identifiers
- Preferred name
- 4-[(Z)-hydroxy-[1-(2-morpholin-4-ylethyl)-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]methyl]-N,N-dimethylbenzenesulfonamide
- IUPAC
- 4-[(Z)-hydroxy-[1-(2-morpholin-4-ylethyl)-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]methyl]-N,N-dimethylbenzenesulfonamide
- English name
- 4-{[4-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-oxo-2-(2-thienyl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-N,N-dimethylbenzenesulfonamide
- Molecular formula
- C23H27N3O6S2
- Molecular weight
- 505.61
Names & synonyms
Oprea1_3326374-{[4-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-oxo-2-(2-thienyl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-N,N-dimethylbenzenesulfonamideAKOS001038611SR-01000487005SR-01000487005-1Benzenesulfonamide, 4-[[2,5-dihydro-4-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-oxo-2-(2-thienyl)-1H-pyrrol-3-yl]carbonyl]-N,N-dimethyl-
Database identifiers
- CAS
371139-68-3- PubChem CID
- 6072913
- EC Number
- 124-866-5
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 902
Physicochemical properties
- Boiling point
- 722.9 · 722.9±70.0 °C(Predicted)
- Density
- 1.4 · 1.400±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Chemistry & industry
Suppliers4 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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