N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydro-3-thienyl)-4-isopropoxybenzamide
Basic information
- CAS
620561-71-9- Standard SMILES
CC(C)Oc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)cc1- InChIKey
WDJHNOKQVUDBIL-UHFFFAOYSA-N- Molecular formula
- C23H30N2O4S
- Average molar mass
- 430.6 g/mol
- Monoisotopic mass
- 430.19262862
Names & identifiers
- Preferred name
- N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydro-3-thienyl)-4-isopropoxybenzamide
- IUPAC
- N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybenzamide
- English name
- N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydro-3-thienyl)-4-isopropoxybenzamide
- Molecular formula
- C23H30N2O4S
- Molecular weight
- 430.56
Names & synonyms
620561-71-9N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydro-3-thienyl)-4-isopropoxybenzamideCHEMBL1482089HMS1803N04STK704254AKOS001687163AKOS016083121N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybenzamideNCGC00100942-01AO-022/42093352SR-01000114115SR-01000114115-1
Show more names
Benzamide, N-[[4-(dimethylamino)phenyl]methyl]-4-(1-methylethoxy)-N-(tetrahydro-1,1-dioxido-3-thienyl)-
N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-isopropoxybenzamideN-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(propan-2-yloxy)benzamide
Database identifiers
- CAS
620561-71-9- PubChem CID
- 3722619
- ChEMBL
CHEMBL1482089
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 657
Physicochemical properties
- Boiling point
- 664.5 · 664.5±55.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 4.79 · 4.79±0.12(Predicted)
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Compound notes
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