Basic information
- CAS
6443-29-4- Standard SMILES
COc1ccc(CNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1- InChIKey
REWLQWHQGUETOT-UHFFFAOYSA-N- Molecular formula
- C21H22N2O4S
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.13002836
Names & identifiers
- Preferred name
- N-(4-methoxybenzyl)-N~2~-(methylsulfonyl)-N~2~-naphthalen-1-ylglycinamide
- IUPAC
- N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
Names & synonyms
STK081140N-(4-methoxybenzyl)-N~2~-(methylsulfonyl)-N~2~-naphthalen-1-ylglycinamide6443-29-4CBMicro_049997DTXSID00403870AKOS003203857BIM-0049976.P001N~2~-(Methanesulfonyl)-N-[(4-methoxyphenyl)methyl]-N~2~-(naphthalen-1-yl)glycinamide
Database identifiers
- CAS
6443-29-4- PubChem CID
- 4518947
- DTXSID
DTXSID00403870
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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