[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
Basic information
- CAS
5400-26-0- Standard SMILES
CC1CCCC(NC(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)C1C- InChIKey
KCOWZJVWDSEXQU-UHFFFAOYSA-N- Molecular formula
- C23H28N2O5S
- Average molar mass
- 444.5 g/mol
- Monoisotopic mass
- 444.17189317
Names & identifiers
- Preferred name
- [2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
- IUPAC
- [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
Names & synonyms
5400-26-0[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate[(2,3-dimethylcyclohexyl)carbamoyl]methyl 4-(phenylsulfamoyl)benzoateDTXSID50411622AKOS002471979SR-01000042807SR-01000042807-1Z18339187T0516-53422-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl 4-(phenylsulfamoyl)benzoate
Database identifiers
- CAS
5400-26-0- PubChem CID
- 5228510
- DTXSID
DTXSID50411622
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 706
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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