N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C24H26N6O2S2 — CID 43021448

About N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 43021448) has the molecular formula C24H26N6O2S2 and a molecular weight of 494.65 g/mol. Its IUPAC name is N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
• PubChem CID: 43021448
• Molecular Formula: C24H26N6O2S2
• Molecular Weight: 494.65 g/mol
• Exact Mass: 494.16
• IUPAC Name: N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
• SMILES: Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nnc(-c3cccs3)n2CC2CCCO2)cc1
• InChI: InChI=1S/C24H26N6O2S2/c1-16-7-9-18(10-8-16)30-21(13-17(2)28-30)25-22(31)15-34-24-27-26-23(20-6-4-12-33-20)29(24)14-19-5-3-11-32-19/h4,6-10,12-13,19H,3,5,11,14-15H2,1-2H3,(H,25,31)
• InChIKey: FJCLTUWMPRVCJD-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.65
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The IUPAC name of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 43021448) is N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

What is the SMILES notation for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The canonical SMILES for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nnc(-c3cccs3)n2CC2CCCO2)cc1.

What is the InChIKey of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The InChIKey is FJCLTUWMPRVCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S2/c1-16-7-9-18(10-8-16)30-21(13-17(2)28-30)25-22(31)15-34-24-27-26-23(20-6-4-12-33-20)29(24)14-19-5-3-11-32-19/h4,6-10,12-13,19H,3,5,11,14-15H2,1-2H3,(H,25,31).

What are the key properties of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?

N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 494.65 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 43021448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).