4,5-Dimethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide
Basic information
- CAS
433306-05-9- Standard SMILES
Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])c(C(N)=O)c1C- InChIKey
JZSNFOYAMGVXJJ-UHFFFAOYSA-N- Molecular formula
- C14H13N3O4S
- Average molar mass
- 319.34 g/mol
Names & identifiers
- Preferred name
- 4,5-Dimethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide
- IUPAC
- 4,5-dimethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide
- English name
- 4,5-dimethyl-2-[(2-nitrobenzoyl)amino]-3-thiophenecarboxamide
- Molecular formula
- C14H13N3O4S
- Molecular weight
- 319.34
Names & synonyms
4,5-dimethyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide2-({2-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxamideCambridge id 6895965Oprea1_721781STK047532AKOS000491948433306-05-9ST035605AN-329/12136159SR-01000245932SR-01000245932-14,5-dimethyl-2-[(2-nitrophenyl)carbonylamino]thiophene-3-carboxamide
Show more names
4,5-dimethyl-2-[(2-nitrobenzoyl)amino]-3-thiophenecarboxamide3-Thiophenecarboxamide, 4,5-dimethyl-2-[(2-nitrobenzoyl)amino]-
4,5-dimethyl-2-{[(2-nitrophenyl)carbonyl]amino}thiophene-3-carboxamide
Database identifiers
- CAS
433306-05-9
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 467
Physicochemical properties
- Boiling point
- 400.6 · 400.6±45.0 °C(Predicted)
- Density
- 1.445 · 1.445±0.06 g/cm3(Predicted)
- pka
- 11.68 · 11.68±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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