4-[2-(Azepan-1-yl)-2-oxoethoxy]-3-methyl-N-(propan-2-yl)benzene-1-sulfonamide
Basic information
- CAS
5502-25-0- Standard SMILES
Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N1CCCCCC1- InChIKey
KXODUWPXNOIDII-UHFFFAOYSA-N- Molecular formula
- C18H28N2O4S
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.17697855
Names & identifiers
- Preferred name
- 4-[2-(Azepan-1-yl)-2-oxoethoxy]-3-methyl-N-(propan-2-yl)benzene-1-sulfonamide
- IUPAC
- 4-[2-(azepan-1-yl)-2-oxoethoxy]-3-methyl-N-propan-2-ylbenzenesulfonamide
Names & synonyms
5502-25-04-[2-(1-azepanyl)-2-oxoethoxy]-N-isopropyl-3-methylbenzenesulfonamideDTXSID50367099STL1959884-[2-(azepan-1-yl)-2-oxoethoxy]-3-methyl-N-propan-2-ylbenzenesulfonamideAKOS0004466024-[2-(Azepan-1-yl)-2-oxoethoxy]-3-methyl-N-(propan-2-yl)benzene-1-sulfonamide4-[2-(azepan-1-yl)-2-oxoethoxy]-3-methyl-N-(propan-2-yl)benzenesulfonamide
Database identifiers
- CAS
5502-25-0- PubChem CID
- 2229318
- DTXSID
DTXSID50367099
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 522
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Compound notes
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