2-(3-Phenylpropanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Basic information
- CAS
477494-59-0- Standard SMILES
NC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CCCCCC2- InChIKey
YZBJHQMLIBPECX-UHFFFAOYSA-N- Molecular formula
- C20H24N2O2S
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.15584919
Names & identifiers
- Preferred name
- 2-(3-Phenylpropanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
- IUPAC
- 2-(3-phenylpropanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Names & synonyms
ST0053592-(3-Phenylpropanamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamideCBMicro_024893Oprea1_452588SCHEMBL12632694DTXSID80393821CCG-11539NSC732801STK334522AKOS003240654NSC-7328012-(3-phenylpropanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Show more names
BIM-0024697.P001AK-968/113674092-(3-phenylpropanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[2,1-b]thiophene-3-ca rboxamide2-[(3-phenylpropanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide329221-98-9
Database identifiers
- CAS
477494-59-0- PubChem CID
- 3578419
- DTXSID
DTXSID80393821
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…