N-Cyclopentyl-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-4-methoxy-N-methylbenzamide
Basic information
- CAS
1060810-20-9- Standard SMILES
COc1ccc(C(=O)N(C)C2CCCC2)cc1S(=O)(=O)N1CCCCCC1- InChIKey
RIDYQHKBVYWQHB-UHFFFAOYSA-N- Molecular formula
- C20H30N2O4S
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.19262862
Names & identifiers
- Preferred name
- N-Cyclopentyl-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-4-methoxy-N-methylbenzamide
- IUPAC
- 3-(azepan-1-ylsulfonyl)-N-cyclopentyl-4-methoxy-N-methylbenzamide
Names & synonyms
DTXSID501134037N-Cyclopentyl-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-4-methoxy-N-methylbenzamide1060810-20-93-(Azepane-1-sulfonyl)-N-cyclopentyl-4-methoxy-N-methylbenzamide
Database identifiers
- CAS
1060810-20-9- PubChem CID
- 18102402
- DTXSID
DTXSID501134037
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 590
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Compound notes
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