N-[4-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide

C21H20N2O3S — CID 4104318

About N-[4-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide

N-[4-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide (PubChem CID 4104318) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[4-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide.

Molecular Properties

• Compound Name: N-[4-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide
• PubChem CID: 4104318
• Molecular Formula: C21H20N2O3S
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.12
• IUPAC Name: N-[4-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide
• SMILES: CCC(=O)Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2cccs2)C3)cc1
• InChI: InChI=1S/C21H20N2O3S/c1-2-20(24)22-16-7-5-14(6-8-16)18-12-15-13-23(10-9-17(15)26-18)21(25)19-4-3-11-27-19/h3-8,11-12H,2,9-10,13H2,1H3,(H,22,24)
• InChIKey: JYJQCIRKJQIDQS-UHFFFAOYSA-N
• XLogP: 4.56
• 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	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide?

The IUPAC name of N-[4-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide (CID 4104318) is N-[4-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide.

What is the SMILES notation for N-[4-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide?

The canonical SMILES for N-[4-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide is CCC(=O)Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2cccs2)C3)cc1.

What is the InChIKey of N-[4-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide?

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

What are the key properties of N-[4-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide?

N-[4-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide has a molecular weight of 380.47 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide is sourced from PubChem (CID 4104318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).