Dimethyl 2-{4-[(2-thienylcarbonyl)amino]phenyl}malonate
Basic information
- CAS
866137-15-7- Standard SMILES
COC(=O)C(C(=O)OC)c1ccc(NC(=O)c2cccs2)cc1- InChIKey
FGVQWYAGKIHJMR-UHFFFAOYSA-N- Molecular formula
- C16H15NO5S
- Average molar mass
- 333.4 g/mol
Names & identifiers
- Preferred name
- Dimethyl 2-{4-[(2-thienylcarbonyl)amino]phenyl}malonate
- IUPAC
- dimethyl 2-[4-(thiophene-2-carbonylamino)phenyl]propanedioate
- English name
- Dimethyl 2-(4-[(2-thienylcarbonyl)amino]phenyl)malonate
- Molecular formula
- C16H15NO5S
- Molecular weight
- 333.36
Names & synonyms
866137-15-7dimethyl 2-{4-[(2-thienylcarbonyl)amino]phenyl}malonateDimethyl 2-[4-(thiophene-2-carbonylamino)phenyl]propanedioate1,3-dimethyl 2-[4-(thiophene-2-amido)phenyl]propanedioateMFCD03617756AKOS0051025448T-0102Dimethyl 2-(4-(thiophene-2-carboxamido)phenyl)malonate1,3-dimethyl2-[4-(thiophene-2-amido)phenyl]propanedioateDimethyl 2-(4-[(2-thienylcarbonyl)amino]phenyl)malonatePropanedioic acid, 2-[4-[(2-thienylcarbonyl)amino]phenyl]-, 1,3-dimethyl ester
Database identifiers
- CAS
866137-15-7
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Boiling point
- 386.9 · 386.9±37.0 °C(Predicted)
- Density
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- pka
- 11.67 · 11.67±0.59(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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