Basic information
- Standard SMILES
CCN(CC/C=C/c1ccc(NS(C)(=O)=O)cc1)CCCCCC(C)(C)O- InChIKey
BCURWJWFMCLIBQ-YRNVUSSQSA-N- Molecular formula
- C21H36N2O3S
- Average molar mass
- 396.6 g/mol
Names & identifiers
- Preferred name
- (E)-N-(4-(4-(Ethyl(6-hydroxy-6-methylheptyl)amino)-1-butenyl)phenyl)methanesulfonamide
- IUPAC
- N-[4-[(E)-4-[ethyl-(6-hydroxy-6-methylheptyl)amino]but-1-enyl]phenyl]methanesulfonamide
Names & synonyms
SCHEMBL9218313BCURWJWFMCLIBQ-YRNVUSSQSA-N(E)-N-(4-(4-(Ethyl(6-hydroxy-6-methylheptyl)amino)-1-butenyl)phenyl)methanesulfonamide
Database identifiers
- PubChem CID
- 20080100
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 518
Related reactions
1 records
Compound notes
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