N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide

C21H20N2O3S — CID 94443674

About N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide

N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide (PubChem CID 94443674) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide
• PubChem CID: 94443674
• Molecular Formula: C21H20N2O3S
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.12
• IUPAC Name: N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide
• SMILES: C[C@@H](NC(=O)c1ccco1)C(=O)N1CCc2sccc2[C@H]1c1ccccc1
• InChI: InChI=1S/C21H20N2O3S/c1-14(22-20(24)17-8-5-12-26-17)21(25)23-11-9-18-16(10-13-27-18)19(23)15-6-3-2-4-7-15/h2-8,10,12-14,19H,9,11H2,1H3,(H,22,24)/t14-,19-/m1/s1
• InChIKey: PNVRPYZUCZTLIT-AUUYWEPGSA-N
• XLogP: 3.63
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.47
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide?

The IUPAC name of N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide (CID 94443674) is N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide is C[C@@H](NC(=O)c1ccco1)C(=O)N1CCc2sccc2[C@H]1c1ccccc1.

What is the InChIKey of N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide?

The InChIKey is PNVRPYZUCZTLIT-AUUYWEPGSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-14(22-20(24)17-8-5-12-26-17)21(25)23-11-9-18-16(10-13-27-18)19(23)15-6-3-2-4-7-15/h2-8,10,12-14,19H,9,11H2,1H3,(H,22,24)/t14-,19-/m1/s1.

What are the key properties of N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide?

N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 94443674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).