methyl 2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Basic information
- CAS
302803-04-9- Standard SMILES
COC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC2- InChIKey
NQWATHZTCFDLPS-UHFFFAOYSA-N- Molecular formula
- C16H14ClNO3S
- Average molar mass
- 335.8 g/mol
- Monoisotopic mass
- 335.0382922
Names & identifiers
- Preferred name
- methyl 2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- IUPAC
- methyl 2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- English name
- Me 2-((2-Cl-benzoyl)amino)-5,6-dihydro-4H-cyclopenta(b)thiophene-3-carboxylate
- Molecular formula
- C16H14ClNO3S
- Molecular weight
- 335.81
Names & synonyms
Oprea1_447217STK796778AKOS000537143CCG-285495methyl 2-[(2-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateSR-01000429744SR-01000429744-1Z17866638ME 2-((2-CL-BENZOYL)AMINO)-5,6-DIHYDRO-4H-CYCLOPENTA(B)THIOPHENE-3-CARBOXYLATEmethyl 2-(2-chlorobenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylatemethyl 2-{[(2-chlorophenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[(2-chlorobenzoyl)amino]-5,6-dihydro-, methyl ester
Database identifiers
- CAS
302803-04-9- PubChem CID
- 718805
- EC Number
- 144-255-7
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Boiling point
- 441.52 · 441.520±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.419 · 1.419±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.001 · 12.001±0.20(predicted)
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Compound notes
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