Basic information
- Standard SMILES
CC(=O)c1ccc(S(=O)(=O)NC(C)(C)C(=O)NC2C3CC4CC2CC(O)(C4)C3)cc1- InChIKey
BXSRJYHJUTYOMY-UHFFFAOYSA-N- Molecular formula
- C22H30N2O5S
- Average molar mass
- 434.6 g/mol
- Monoisotopic mass
- 434.18754324
Names & identifiers
- Preferred name
- 2-(4-acetylphenylsulfonamido)-N-(5-hydroxyadamantane-2-yl)-2-methylpropanamide
- IUPAC
- 2-[(4-acetylphenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide
Names & synonyms
SCHEMBL14676889BXSRJYHJUTYOMY-UHFFFAOYSA-N2-(4-acetylphenylsulfonamido)-N-(5-hydroxyadamantane-2-yl)-2-methylpropanamide
Database identifiers
- PubChem CID
- 71246948
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 794
Related reactions
1 records
Compound notes
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