N-(4-(4-(Ethyl(6-fluoro-6-methylheptyl)amino)-1-hydroxybutyl)phenyl)methanesulfonamide
Basic information
- CAS
135124-45-7- Standard SMILES
CCN(CCCCCC(C)(C)F)CCCC(O)c1ccc(NS(C)(=O)=O)cc1- InChIKey
RPQUKWBLAHJOPX-UHFFFAOYSA-N- Molecular formula
- C21H37FN2O3S
- Average molar mass
- 416.6 g/mol
- Monoisotopic mass
- 416.25089238
Names & identifiers
- Preferred name
- N-(4-(4-(Ethyl(6-fluoro-6-methylheptyl)amino)-1-hydroxybutyl)phenyl)methanesulfonamide
- IUPAC
- N-[4-[4-[ethyl-(6-fluoro-6-methylheptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
- English name
- trecetilide
- Molecular formula
- C21H37FN2O3S
- Molecular weight
- 416.59
Names & synonyms
Methanesulfonamide,N-[4-[(1S)-4-[ethyl(6-fluoro-6-methylheptyl)amino]-1-hydroxybutyl]phenyl]-CHEMBL417435SCHEMBL5353209RPQUKWBLAHJOPX-UHFFFAOYSA-NN-(4-(4-(Ethyl(6-fluoro-6-methylheptyl)amino)-1-hydroxybutyl)phenyl)methanesulfonamidetrecetilideMethanesulfonamide, N-[4-[4-[ethyl(6-fluoro-6-methylheptyl)amino]-1-hydroxybutyl]phenyl]-
Database identifiers
- CAS
135124-45-7- PubChem CID
- 9823219
- ChEMBL
CHEMBL417435
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 514
Physicochemical properties
- FDA UNII
- 3 R7HJU91EJ · 3R7HJU91EJ
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Related reactions
3 records
Compound notes
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