2-[(3,5-dimethylphenyl)(methylsulfonyl)amino]-N-phenylpropanamide
Basic information
- CAS
1048668-06-9- Standard SMILES
Cc1cc(C)cc(N(C(C)C(=O)Nc2ccccc2)S(C)(=O)=O)c1- InChIKey
FFJONVHSMFUNMN-UHFFFAOYSA-N- Molecular formula
- C18H22N2O3S
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.13511374
Names & identifiers
- Preferred name
- 2-[(3,5-dimethylphenyl)(methylsulfonyl)amino]-N-phenylpropanamide
- IUPAC
- 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-phenylpropanamide
Names & synonyms
2-[(3,5-dimethylphenyl)(methylsulfonyl)amino]-N-phenylpropanamideDTXSID901169006STL102300AKOS000392652AKOS0242834581048668-06-9ST068935N~2~-(3,5-Dimethylphenyl)-N~2~-(methanesulfonyl)-N-phenylalaninamideN~2~-(3,5-dimethylphenyl)-N~2~-(methylsulfonyl)-N-phenylalaninamide
Database identifiers
- CAS
1048668-06-9- PubChem CID
- 17201147
- DTXSID
DTXSID901169006
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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