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

C25H27N3O3S2 — CID 46423662

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

3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]benzamide (PubChem CID 46423662) has the molecular formula C25H27N3O3S2 and a molecular weight of 481.64 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]benzamide.

Molecular Properties

• Compound Name: 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]benzamide
• PubChem CID: 46423662
• Molecular Formula: C25H27N3O3S2
• Molecular Weight: 481.64 g/mol
• Exact Mass: 481.15
• IUPAC Name: 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]benzamide
• SMILES: CC(CNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCc2sccc2C1
• InChI: InChI=1S/C25H27N3O3S2/c1-18(27-12-10-24-21(17-27)11-14-32-24)16-26-25(29)20-6-4-7-22(15-20)33(30,31)28-13-9-19-5-2-3-8-23(19)28/h2-8,11,14-15,18H,9-10,12-13,16-17H2,1H3,(H,26,29)
• InChIKey: FHGOOROVWRSLBQ-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.64
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]benzamide (CID 46423662) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]benzamide.

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

The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]benzamide is CC(CNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCc2sccc2C1.

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

The InChIKey is FHGOOROVWRSLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S2/c1-18(27-12-10-24-21(17-27)11-14-32-24)16-26-25(29)20-6-4-7-22(15-20)33(30,31)28-13-9-19-5-2-3-8-23(19)28/h2-8,11,14-15,18H,9-10,12-13,16-17H2,1H3,(H,26,29).

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

3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]benzamide has a molecular weight of 481.64 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]benzamide is sourced from PubChem (CID 46423662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).