Basic information
- Standard SMILES
COC1(c2cccc(Sc3ccc(N(C)S(C)(=O)=O)cc3)c2)CCOCC1- InChIKey
JSHYYOJAHYOCGJ-UHFFFAOYSA-N- Molecular formula
- C20H25NO4S2
- Average molar mass
- 407.6 g/mol
Names & identifiers
- Preferred name
- N-{4-[3-(4-methoxytetrahydropyran-4-yl)phenylthio]phenyl}-N-methylmethanesulphonamide
- IUPAC
- N-[4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]-N-methylmethanesulfonamide
Names & synonyms
SCHEMBL9048271JSHYYOJAHYOCGJ-UHFFFAOYSA-NN-{4-[3-(4-methoxytetrahydropyran-4-yl)phenylthio]phenyl}-N-methylmethanesulphonamide
Database identifiers
- PubChem CID
- 19785586
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 563
Related reactions
3 records
Compound notes
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