N-benzyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide

C26H25N3O2S — CID 29406867

About N-benzyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide

N-benzyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 29406867) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-benzyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
• PubChem CID: 29406867
• Molecular Formula: C26H25N3O2S
• Molecular Weight: 443.57 g/mol
• Exact Mass: 443.17
• IUPAC Name: N-benzyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
• SMILES: Cc1ccccc1-c1nnc(SCC(=O)N(CCc2ccccc2)Cc2ccccc2)o1
• InChI: InChI=1S/C26H25N3O2S/c1-20-10-8-9-15-23(20)25-27-28-26(31-25)32-19-24(30)29(18-22-13-6-3-7-14-22)17-16-21-11-4-2-5-12-21/h2-15H,16-19H2,1H3
• InChIKey: HPDAOLGNZMJGTH-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.57
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-benzyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide (CID 29406867) is N-benzyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide.

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

The canonical SMILES for N-benzyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide is Cc1ccccc1-c1nnc(SCC(=O)N(CCc2ccccc2)Cc2ccccc2)o1.

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

The InChIKey is HPDAOLGNZMJGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S/c1-20-10-8-9-15-23(20)25-27-28-26(31-25)32-19-24(30)29(18-22-13-6-3-7-14-22)17-16-21-11-4-2-5-12-21/h2-15H,16-19H2,1H3.

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

N-benzyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 443.57 g/mol, XLogP of 5.41, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 29406867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).