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

C25H28N2O4S2 — CID 33160615

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

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide (PubChem CID 33160615) has the molecular formula C25H28N2O4S2 and a molecular weight of 484.64 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide.

Molecular Properties

• Compound Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
• PubChem CID: 33160615
• Molecular Formula: C25H28N2O4S2
• Molecular Weight: 484.64 g/mol
• Exact Mass: 484.15
• IUPAC Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
• SMILES: CC(C)Oc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)cc1
• InChI: InChI=1S/C25H28N2O4S2/c1-18(2)31-22-8-6-19(7-9-22)10-13-26-25(28)20-4-3-5-23(16-20)33(29,30)27-14-11-24-21(17-27)12-15-32-24/h3-9,12,15-16,18H,10-11,13-14,17H2,1-2H3,(H,26,28)
• InChIKey: BUWCOCBHXYAZTP-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.64
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide (CID 33160615) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide.

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

The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide is CC(C)Oc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)cc1.

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

The InChIKey is BUWCOCBHXYAZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S2/c1-18(2)31-22-8-6-19(7-9-22)10-13-26-25(28)20-4-3-5-23(16-20)33(29,30)27-14-11-24-21(17-27)12-15-32-24/h3-9,12,15-16,18H,10-11,13-14,17H2,1-2H3,(H,26,28).

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

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide has a molecular weight of 484.64 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide is sourced from PubChem (CID 33160615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).