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

C16H12N4O2S2 — CID 7682939

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

N-(3-cyanothiophen-2-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 7682939) has the molecular formula C16H12N4O2S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(3-cyanothiophen-2-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 7682939
• Molecular Formula: C16H12N4O2S2
• Molecular Weight: 356.43 g/mol
• Exact Mass: 356.04
• IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• SMILES: Cc1ccccc1-c1nnc(SCC(=O)Nc2sccc2C#N)o1
• InChI: InChI=1S/C16H12N4O2S2/c1-10-4-2-3-5-12(10)14-19-20-16(22-14)24-9-13(21)18-15-11(8-17)6-7-23-15/h2-7H,9H2,1H3,(H,18,21)
• InChIKey: SFABOLCSINMSQZ-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 91.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.43
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 7682939) is N-(3-cyanothiophen-2-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

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

The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1ccccc1-c1nnc(SCC(=O)Nc2sccc2C#N)o1.

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

The InChIKey is SFABOLCSINMSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S2/c1-10-4-2-3-5-12(10)14-19-20-16(22-14)24-9-13(21)18-15-11(8-17)6-7-23-15/h2-7H,9H2,1H3,(H,18,21).

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

N-(3-cyanothiophen-2-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyanothiophen-2-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 7682939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).