2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone

C24H26N4O4S2 — CID 24526245

About 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 24526245) has the molecular formula C24H26N4O4S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

• Compound Name: 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
• PubChem CID: 24526245
• Molecular Formula: C24H26N4O4S2
• Molecular Weight: 498.63 g/mol
• Exact Mass: 498.14
• IUPAC Name: 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
• SMILES: O=C(CSc1nnc(Cc2ccccc2)o1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
• InChI: InChI=1S/C24H26N4O4S2/c29-23(17-33-24-26-25-22(32-24)15-18-7-3-1-4-8-18)28-14-11-19-16-20(9-10-21(19)28)34(30,31)27-12-5-2-6-13-27/h1,3-4,7-10,16H,2,5-6,11-15,17H2
• InChIKey: HVIZLXWIMFBKDZ-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 96.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.63
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?

The IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone (CID 24526245) is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone.

What is the SMILES notation for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?

The canonical SMILES for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone is O=C(CSc1nnc(Cc2ccccc2)o1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21.

What is the InChIKey of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?

The InChIKey is HVIZLXWIMFBKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S2/c29-23(17-33-24-26-25-22(32-24)15-18-7-3-1-4-8-18)28-14-11-19-16-20(9-10-21(19)28)34(30,31)27-12-5-2-6-13-27/h1,3-4,7-10,16H,2,5-6,11-15,17H2.

What are the key properties of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 498.63 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 24526245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).