Basic information
- CAS
1009167-16-1- Standard SMILES
CSc1cccc(NC(C)C(=O)NCc2ccccc2)c1- InChIKey
IEQBTKZISVHHJP-UHFFFAOYSA-N- Molecular formula
- C17H20N2OS
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.12963444
Names & identifiers
- Preferred name
- N-benzyl-2-(3-methylsulfanylanilino)propanamide
- IUPAC
- N-benzyl-2-(3-methylsulfanylanilino)propanamide
Names & synonyms
N-benzyl-2-(3-methylsulfanylanilino)propanamideMLS000772424CHEMBL1456891DTXSID001326473HMS1785A10HMS2711N18AKOS0343516581009167-16-1SMR000377131SR-01000063845SR-01000063845-1N-Benzyl-N~2~-[3-(methylsulfanyl)phenyl]alaninamide
Show more names
Z44497532
Database identifiers
- CAS
1009167-16-1- PubChem CID
- 4882997
- DTXSID
DTXSID001326473- ChEMBL
CHEMBL1456891
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 318
Experimental & physicochemical properties
Solubility37.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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