ethyl 2-[(cyclohexylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Basic information
- CAS
315712-39-1- Standard SMILES
CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2- InChIKey
NJRPGIPTMJWZQV-UHFFFAOYSA-N- Molecular formula
- C17H23NO3S
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.13986477
Names & identifiers
- Preferred name
- ethyl 2-[(cyclohexylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-(cyclohexanecarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- English name
- ethyl 2-[(cyclohexylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- Molecular formula
- C17H23NO3S
- Molecular weight
- 321.43
Names & synonyms
315712-39-1ethyl 2-[(cyclohexylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateEthyl 2-[(cyclohexanecarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateCBMicro_006082ethyl 2-(cyclohexanecarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateOprea1_375889Oprea1_507500DTXSID801125790SMSF0006504STK331904AKOS000541237CB08298
Show more names
CCG-274794BIM-0006160.P001ST50003113AG-205/36957227ethyl 2-(cyclohexanecarboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateethyl 2-(cyclohexylcarbonylamino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-c arboxylate4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[(cyclohexylcarbonyl)amino]-5,6-dihydro-, ethyl ester
Database identifiers
- CAS
315712-39-1- PubChem CID
- 804885
- DTXSID
DTXSID801125790
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Boiling point
- 537.7 · 537.7±50.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- pka
- 13.98 · 13.98±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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