N-[4-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]furan-2-carboxamide

C21H20N2O3S — CID 27332026

About N-[4-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]furan-2-carboxamide

N-[4-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 27332026) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[4-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]furan-2-carboxamide
• PubChem CID: 27332026
• Molecular Formula: C21H20N2O3S
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.12
• IUPAC Name: N-[4-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]furan-2-carboxamide
• SMILES: CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(NC(=O)c2ccco2)cc1
• InChI: InChI=1S/C21H20N2O3S/c1-2-17-16-10-13-27-19(16)9-11-23(17)21(25)14-5-7-15(8-6-14)22-20(24)18-4-3-12-26-18/h3-8,10,12-13,17H,2,9,11H2,1H3,(H,22,24)/t17-/m1/s1
• InChIKey: JXZZYMNQQVPLGW-QGZVFWFLSA-N
• XLogP: 4.74
• 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	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]furan-2-carboxamide?

The IUPAC name of N-[4-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]furan-2-carboxamide (CID 27332026) is N-[4-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]furan-2-carboxamide?

The canonical SMILES for N-[4-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]furan-2-carboxamide is CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(NC(=O)c2ccco2)cc1.

What is the InChIKey of N-[4-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]furan-2-carboxamide?

The InChIKey is JXZZYMNQQVPLGW-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-2-17-16-10-13-27-19(16)9-11-23(17)21(25)14-5-7-15(8-6-14)22-20(24)18-4-3-12-26-18/h3-8,10,12-13,17H,2,9,11H2,1H3,(H,22,24)/t17-/m1/s1.

What are the key properties of N-[4-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]furan-2-carboxamide?

N-[4-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 27332026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).