Cyclohexanecarboxamide, N-(2-mercaptophenyl)-1-(3-methylbutyl)-
Basic information
- CAS
211513-22-3- Standard SMILES
CC(C)CCC1(C(=O)Nc2ccccc2S)CCCCC1- InChIKey
OBWOWYBSZTURFB-UHFFFAOYSA-N- Molecular formula
- C18H27NOS
- Average molar mass
- 305.5 g/mol
- Monoisotopic mass
- 305.18133566
Names & identifiers
- Preferred name
- Cyclohexanecarboxamide, N-(2-mercaptophenyl)-1-(3-methylbutyl)-
- IUPAC
- 1-(3-methylbutyl)-N-(2-sulfanylphenyl)cyclohexane-1-carboxamide
Names & synonyms
211513-22-3Cyclohexanecarboxamide, N-(2-mercaptophenyl)-1-(3-methylbutyl)-SCHEMBL1524009DTXSID204320261-(3-methylbutyl)-N-(2-sulfanylphenyl)cyclohexane-1-carboxamide
Database identifiers
- CAS
211513-22-3- PubChem CID
- 9861315
- DTXSID
DTXSID20432026
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 30.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 336
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Compound notes
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