2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)-N-propan-2-ylacetamide

C20H20ClN3O2S — CID 86893378

About 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)-N-propan-2-ylacetamide

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)-N-propan-2-ylacetamide (PubChem CID 86893378) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)-N-propan-2-ylacetamide
• PubChem CID: 86893378
• Molecular Formula: C20H20ClN3O2S
• Molecular Weight: 401.92 g/mol
• Exact Mass: 401.10
• IUPAC Name: 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)-N-propan-2-ylacetamide
• SMILES: Cc1ccccc1N(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(C)C
• InChI: InChI=1S/C20H20ClN3O2S/c1-13(2)24(17-7-5-4-6-14(17)3)18(25)12-27-20-23-22-19(26-20)15-8-10-16(21)11-9-15/h4-11,13H,12H2,1-3H3
• InChIKey: ZUXAGIGFEBEJGL-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.92
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)-N-propan-2-ylacetamide?

The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)-N-propan-2-ylacetamide (CID 86893378) is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)-N-propan-2-ylacetamide?

The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)-N-propan-2-ylacetamide is Cc1ccccc1N(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(C)C.

What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)-N-propan-2-ylacetamide?

The InChIKey is ZUXAGIGFEBEJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-13(2)24(17-7-5-4-6-14(17)3)18(25)12-27-20-23-22-19(26-20)15-8-10-16(21)11-9-15/h4-11,13H,12H2,1-3H3.

What are the key properties of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)-N-propan-2-ylacetamide?

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)-N-propan-2-ylacetamide has a molecular weight of 401.92 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 86893378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).