N-[1-(1-benzofuran-2-yl)ethyl]-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide

C24H22N2O4S2 — CID 43057041

About N-[1-(1-benzofuran-2-yl)ethyl]-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide

N-[1-(1-benzofuran-2-yl)ethyl]-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide (PubChem CID 43057041) has the molecular formula C24H22N2O4S2 and a molecular weight of 466.58 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide.

Molecular Properties

• Compound Name: N-[1-(1-benzofuran-2-yl)ethyl]-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
• PubChem CID: 43057041
• Molecular Formula: C24H22N2O4S2
• Molecular Weight: 466.58 g/mol
• Exact Mass: 466.10
• IUPAC Name: N-[1-(1-benzofuran-2-yl)ethyl]-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
• SMILES: CC(NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1)c1cc2ccccc2o1
• InChI: InChI=1S/C24H22N2O4S2/c1-16(22-14-17-5-2-3-8-21(17)30-22)25-24(27)18-6-4-7-20(13-18)32(28,29)26-11-9-23-19(15-26)10-12-31-23/h2-8,10,12-14,16H,9,11,15H2,1H3,(H,25,27)
• InChIKey: AOURQFYYBZDALB-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 79.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.58
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide?

The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide (CID 43057041) is N-[1-(1-benzofuran-2-yl)ethyl]-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide.

What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide?

The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide is CC(NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1)c1cc2ccccc2o1.

What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide?

The InChIKey is AOURQFYYBZDALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S2/c1-16(22-14-17-5-2-3-8-21(17)30-22)25-24(27)18-6-4-7-20(13-18)32(28,29)26-11-9-23-19(15-26)10-12-31-23/h2-8,10,12-14,16H,9,11,15H2,1H3,(H,25,27).

What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide?

N-[1-(1-benzofuran-2-yl)ethyl]-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide has a molecular weight of 466.58 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1-benzofuran-2-yl)ethyl]-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide is sourced from PubChem (CID 43057041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).