Basic information
- CAS
875471-99-1- Standard SMILES
CCCNC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1- InChIKey
JPOBIYHWORJUCV-UHFFFAOYSA-N- Molecular formula
- C13H15F3N2O2S
- Average molar mass
- 320.33 g/mol
- Monoisotopic mass
- 320.08063339
Names & identifiers
- Preferred name
- N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
- IUPAC
- N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
Names & synonyms
N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamideMLS000770784CHEMBL1526816DTXSID301323466HMS2701C06AKOS033595210875471-99-1SMR000343938Z18099674N-(Propylcarbamoyl)-2-{[3-(trifluoromethyl)phenyl]sulfanyl}acetamide
Database identifiers
- CAS
875471-99-1- PubChem CID
- 2592012
- DTXSID
DTXSID301323466- ChEMBL
CHEMBL1526816
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Experimental & physicochemical properties
Solubility12.9 [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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