2-[[[Cyclopentyl(2-fluorobenzoyl)amino]acetyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
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Basic information
- CAS
606109-51-7- Standard SMILES
NC(=O)c1c(NC(=O)CN(C(=O)c2ccccc2F)C2CCCC2)sc2c1CCCC2- InChIKey
VGJOPEXAJFJZQL-UHFFFAOYSA-N- Molecular formula
- C23H26FN3O3S
- Average molar mass
- 443.5 g/mol
- Monoisotopic mass
- 443.16789104
Names & identifiers
- Preferred name
- 2-[[[Cyclopentyl(2-fluorobenzoyl)amino]acetyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
- IUPAC
- 2-[[2-[cyclopentyl-(2-fluorobenzoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- English name
- Benzo[b]thiophene-3-carboxamide, 2-[[[cyclopentyl(2-fluorobenzoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro- (9CI)
- Molecular formula
- C23H26FN3O3S
- Molecular weight
- 443.53
Names & synonyms
606109-51-72-[[[cyclopentyl(2-fluorobenzoyl)amino]acetyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamideDTXSID30394883DB-2855762-{[N-Cyclopentyl-N-(2-fluorobenzoyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideBENZO[B]THIOPHENE-3-CARBOXAMIDE, 2-[[[CYCLOPENTYL(2-FLUOROBENZOYL)AMINO]ACETYL]AMINO]-4,5,6,7-TETRAHYDRO-2-[[2-[cyclopentyl-(2-fluorobenzoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideBenzo[b]thiophene-3-carboxamide, 2-[[2-[cyclopentyl(2-fluorobenzoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-Benzo[b]thiophene-3-carboxamide, 2-[[[cyclopentyl(2-fluorobenzoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro- (9CI)
Database identifiers
- CAS
606109-51-7- PubChem CID
- 3672310
- DTXSID
DTXSID30394883
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 687
Related reactions
0 records
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Compound notes
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