4-(N-(2-Cyclohexylethyl)-N-propanesulfonylaminomethyl)-2-(2-methylphenyl)benzoic acid methyl ester
Basic information
- Standard SMILES
CCCS(=O)(=O)N(CCC1CCCCC1)Cc1ccc(C(=O)OC)c(-c2ccccc2C)c1- InChIKey
CGFNJCBKTVBXGM-UHFFFAOYSA-N- Molecular formula
- C27H37NO4S
- Average molar mass
- 471.7 g/mol
- Monoisotopic mass
- 471.24432984
Names & identifiers
- Preferred name
- 4-(N-(2-Cyclohexylethyl)-N-propanesulfonylaminomethyl)-2-(2-methylphenyl)benzoic acid methyl ester
- IUPAC
- methyl 4-[[2-cyclohexylethyl(propylsulfonyl)amino]methyl]-2-(2-methylphenyl)benzoate
Names & synonyms
SCHEMBL628907CGFNJCBKTVBXGM-UHFFFAOYSA-N4-(N-(2-Cyclohexylethyl)-N-propanesulfonylaminomethyl)-2-(2-methylphenyl)benzoic acid methyl ester
Database identifiers
- PubChem CID
- 20699861
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 697
Related reactions
2 records
Compound notes
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