2-amino-N-phenethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Basic information
- CAS
617697-66-2- Standard SMILES
Nc1sc2c(c1C(=O)NCCc1ccccc1)CCC2- InChIKey
PAPFJDBPMCTZRF-UHFFFAOYSA-N- Molecular formula
- C16H18N2OS
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.11398438
Names & identifiers
- Preferred name
- 2-amino-N-phenethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
- IUPAC
- 2-amino-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Names & synonyms
617697-66-22-amino-N-phenethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide2-amino-N-(2-phenylethyl)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide2-amino-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamideOprea1_501244MLS000708160IFLab1_005898CHEMBL1350323SCHEMBL12297943DTXSID801328011HMS1428M02HMS2714E15
Show more names
SBB073138STK813512AKOS000526928IDI1_011301SMR000287627ST061650AF-399/41900017SR-01000320186
Database identifiers
- CAS
617697-66-2- PubChem CID
- 830161
- DTXSID
DTXSID801328011- ChEMBL
CHEMBL1350323
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Experimental & physicochemical properties
Solubility17 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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