Ethyl 5-(benzylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
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Basic information
- CAS
540517-99-5- Standard SMILES
CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)NCc2ccccc2)c1C- InChIKey
ITSIFIVIUQPKCI-UHFFFAOYSA-N- Molecular formula
- C21H20N2O4S2
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.08644947
Names & identifiers
- Preferred name
- Ethyl 5-(benzylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
- IUPAC
- ethyl 5-(benzylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
- English name
- ethyl 5-[(benzylamino)carbonyl]-4-methyl-2-[(2-thienylcarbonyl)amino]-3-thiophenecarboxylate
- Molecular formula
- C21H20N2O4S2
- Molecular weight
- 428.52
Names & synonyms
ethyl 5-(benzylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylateethyl 5-(benzylcarbamoyl)-4-methyl-2-[(thiophen-2-ylcarbonyl)amino]thiophene-3-carboxylateSTK113285AKOS003297057ST50434990AO-080/42479453ethyl 5-[(benzylamino)carbonyl]-4-methyl-2-[(2-thienylcarbonyl)amino]-3-thiophenecarboxylate3-Thiophenecarboxylic acid, 4-methyl-5-[[(phenylmethyl)amino]carbonyl]-2-[(2-thienylcarbonyl)amino]-, ethyl ester
Database identifiers
- CAS
540517-99-5- PubChem CID
- 990979
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 597
Physicochemical properties
- Boiling point
- 512.1 · 512.1±50.0 °C(Predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- pka
- 12.04 · 12.04±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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