N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide

C24H28N2O3S — CID 46400407

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide (PubChem CID 46400407) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
• PubChem CID: 46400407
• Molecular Formula: C24H28N2O3S
• Molecular Weight: 424.57 g/mol
• Exact Mass: 424.18
• IUPAC Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
• SMILES: COc1ccc(-c2ccc(CCC(=O)NCC(C)N3CCc4sccc4C3)o2)cc1
• InChI: InChI=1S/C24H28N2O3S/c1-17(26-13-11-23-19(16-26)12-14-30-23)15-25-24(27)10-8-21-7-9-22(29-21)18-3-5-20(28-2)6-4-18/h3-7,9,12,14,17H,8,10-11,13,15-16H2,1-2H3,(H,25,27)
• InChIKey: GVWOJUBYWJPFGL-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.57
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?

The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide (CID 46400407) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide.

What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?

The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide is COc1ccc(-c2ccc(CCC(=O)NCC(C)N3CCc4sccc4C3)o2)cc1.

What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?

The InChIKey is GVWOJUBYWJPFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-17(26-13-11-23-19(16-26)12-14-30-23)15-25-24(27)10-8-21-7-9-22(29-21)18-3-5-20(28-2)6-4-18/h3-7,9,12,14,17H,8,10-11,13,15-16H2,1-2H3,(H,25,27).

What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide has a molecular weight of 424.57 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide is sourced from PubChem (CID 46400407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).