2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

C23H21N3O2S — CID 4008503

About 2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 4008503) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
• PubChem CID: 4008503
• Molecular Formula: C23H21N3O2S
• Molecular Weight: 403.51 g/mol
• Exact Mass: 403.14
• IUPAC Name: 2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
• SMILES: Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c(C)c1
• InChI: InChI=1S/C23H21N3O2S/c1-14-10-15(2)21(16(3)11-14)24-20(27)13-29-23-26-25-22(28-23)19-9-8-17-6-4-5-7-18(17)12-19/h4-12H,13H2,1-3H3,(H,24,27)
• InChIKey: RCKYWDGYDWCNSN-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.51
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?

The IUPAC name of 2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide (CID 4008503) is 2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.

What is the SMILES notation for 2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?

The canonical SMILES for 2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c(C)c1.

What is the InChIKey of 2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?

The InChIKey is RCKYWDGYDWCNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-14-10-15(2)21(16(3)11-14)24-20(27)13-29-23-26-25-22(28-23)19-9-8-17-6-4-5-7-18(17)12-19/h4-12H,13H2,1-3H3,(H,24,27).

What are the key properties of 2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?

2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 403.51 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 4008503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).