Basic information
- CAS
70413-87-5- Standard SMILES
CC(=O)NC(=O)CSc1ccccc1N(C)C(C)=O- InChIKey
HCNQMCPHFHNXMF-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3S
- Average molar mass
- 280.34 g/mol
- Monoisotopic mass
- 280.08816355
Names & identifiers
- Preferred name
- N-{2-[(2-Acetamido-2-oxoethyl)sulfanyl]phenyl}-N-methylacetamide
- IUPAC
- N-acetyl-2-[2-[acetyl(methyl)amino]phenyl]sulfanylacetamide
Names & synonyms
70413-87-5NSC335428DTXSID10318764N-{2-[(2-Acetamido-2-oxoethyl)sulfanyl]phenyl}-N-methylacetamideNSC-335428
Database identifiers
- CAS
70413-87-5- PubChem CID
- 333533
- DTXSID
DTXSID10318764
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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