Basic information
- CAS
667434-97-1- Standard SMILES
CCC(CC)C(=O)Nc1ccc(C(=O)C=Cc2ccc(SC)cc2)cc1- InChIKey
DFGWDGKUZKPEFA-UHFFFAOYSA-N- Molecular formula
- C22H25NO2S
- Average molar mass
- 367.5 g/mol
Names & identifiers
- Preferred name
- 2-ethyl-N-[4-[3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]butanamide
- IUPAC
- 2-ethyl-N-[4-[3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]butanamide
- English name
- 2-ethyl-N-(4-{3-[4-(methylsulfanyl)phenyl]acryloyl}phenyl)butanamide
- Molecular formula
- C22H25NO2S
- Molecular weight
- 367.51
Names & synonyms
2-ethyl-N-(4-{3-[4-(methylsulfanyl)phenyl]acryloyl}phenyl)butanamide
Database identifiers
- CAS
667434-97-1
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 471
Physicochemical properties
- Boiling point
- 586.396 · 586.396±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.142 · 1.142±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.169 · 14.169±0.70(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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