Basic information
- CAS
439120-53-3- Standard SMILES
Cc1ccc(CNC(=O)c2sccc2NC(=O)c2ccccc2)cc1- InChIKey
ILQSISWNMLFFDH-UHFFFAOYSA-N- Molecular formula
- C20H18N2O2S
- Average molar mass
- 350.4 g/mol
Names & identifiers
- Preferred name
- 3-benzamido-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
- IUPAC
- 3-benzamido-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
- English name
- 3-(Benzoylamino)-N-(4-methylbenzyl)-2-thiophenecarboxamide
- Molecular formula
- C20H18N2O2S
- Molecular weight
- 350.43
Names & synonyms
3-benzamido-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide439120-53-3Oprea1_4264753-(benzoylamino)-N-(4-methylbenzyl)-2-thiophenecarboxamideAKOS0051025808R-13183-Benzamido-N-(4-methylbenzyl)thiophene-2-carboxamide2-Thiophenecarboxamide, 3-(benzoylamino)-N-[(4-methylphenyl)methyl]-
Database identifiers
- CAS
439120-53-3
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Boiling point
- 500 · 500.0±50.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- pka
- 12.82 · 12.82±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…