2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide

C26H24N4O3S — CID 112777766

About 2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide

2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 112777766) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is 2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

• Compound Name: 2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide
• PubChem CID: 112777766
• Molecular Formula: C26H24N4O3S
• Molecular Weight: 472.57 g/mol
• Exact Mass: 472.16
• IUPAC Name: 2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide
• SMILES: Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)o1
• InChI: InChI=1S/C26H24N4O3S/c1-17-10-6-7-13-20(17)25-29-30-26(33-25)34-16-23(31)28-22-15-9-8-14-21(22)24(32)27-18(2)19-11-4-3-5-12-19/h3-15,18H,16H2,1-2H3,(H,27,32)(H,28,31)
• InChIKey: SKUQTNZPHDLLPK-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.57
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide?

The IUPAC name of 2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide (CID 112777766) is 2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide.

What is the SMILES notation for 2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide?

The canonical SMILES for 2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide is Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)o1.

What is the InChIKey of 2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide?

The InChIKey is SKUQTNZPHDLLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-17-10-6-7-13-20(17)25-29-30-26(33-25)34-16-23(31)28-22-15-9-8-14-21(22)24(32)27-18(2)19-11-4-3-5-12-19/h3-15,18H,16H2,1-2H3,(H,27,32)(H,28,31).

What are the key properties of 2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide?

2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 472.57 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 112777766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).