N-(2-benzoyl-4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C25H17ClN4O3S — CID 2347209

About N-(2-benzoyl-4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(2-benzoyl-4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2347209) has the molecular formula C25H17ClN4O3S and a molecular weight of 488.96 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2-benzoyl-4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 2347209
• Molecular Formula: C25H17ClN4O3S
• Molecular Weight: 488.96 g/mol
• Exact Mass: 488.07
• IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• SMILES: O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)Nc1ccc(Cl)cc1C(=O)c1ccccc1
• InChI: InChI=1S/C25H17ClN4O3S/c26-16-10-11-21(18(12-16)23(32)15-6-2-1-3-7-15)28-22(31)14-34-25-30-29-24(33-25)19-13-27-20-9-5-4-8-17(19)20/h1-13,27H,14H2,(H,28,31)
• InChIKey: NMVLDXDRJVCBFX-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 100.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.96
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 2347209) is N-(2-benzoyl-4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)Nc1ccc(Cl)cc1C(=O)c1ccccc1.

What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is NMVLDXDRJVCBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4O3S/c26-16-10-11-21(18(12-16)23(32)15-6-2-1-3-7-15)28-22(31)14-34-25-30-29-24(33-25)19-13-27-20-9-5-4-8-17(19)20/h1-13,27H,14H2,(H,28,31).

What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

N-(2-benzoyl-4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 488.96 g/mol, XLogP of 5.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-benzoyl-4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2347209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).