2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

C119H107F3N30O16S9 — CID 162178602

About 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 162178602) has the molecular formula C119H107F3N30O16S9 and a molecular weight of 2558.96 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
• PubChem CID: 162178602
• Molecular Formula: C119H107F3N30O16S9
• Molecular Weight: 2558.96 g/mol
• Exact Mass: 2556.59
• IUPAC Name: 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
• SMILES: COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1)OC.CS(=O)(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1.Cc1ccc(S(=O)(=O)n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccncc2)cc1.O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(C(F)(F)F)cc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccncc2)n1CC1OCCO1)Nc1ccccc1.O=C(CSc1nnc(-c2ccncc2)n1S(=O)(=O)c1ccccc1)Nc1ccccc1
• InChI: InChI=1S/C22H16F3N5OS.C22H19N5O3S2.C21H17N5O3S2.C19H19N5O3S.C19H21N5O3S.C16H15N5O3S2/c23-22(24,25)16-6-8-18(9-7-16)30-20(15-10-12-26-13-11-15)28-29-21(30)32-14-19(31)27-17-4-2-1-3-5-17;1-16-7-9-19(10-8-16)32(29,30)27-21(17-11-13-23-14-12-17)25-26-22(27)31-15-20(28)24-18-5-3-2-4-6-18;27-19(23-17-7-3-1-4-8-17)15-30-21-25-24-20(16-11-13-22-14-12-16)26(21)31(28,29)18-9-5-2-6-10-18;25-16(21-15-4-2-1-3-5-15)13-28-19-23-22-18(14-6-8-20-9-7-14)24(19)12-17-26-10-11-27-17;1-26-17(27-2)12-24-18(14-8-10-20-11-9-14)22-23-19(24)28-13-16(25)21-15-6-4-3-5-7-15;1-26(23,24)21-15(12-7-9-17-10-8-12)19-20-16(21)25-11-14(22)18-13-5-3-2-4-6-13/h1-13H,14H2,(H,27,31);2-14H,15H2,1H3,(H,24,28);1-14H,15H2,(H,23,27);1-9,17H,10-13H2,(H,21,25);3-11,17H,12-13H2,1-2H3,(H,21,25);2-10H,11H2,1H3,(H,18,22)
• InChIKey: ZOSKZUMJQCAYCS-UHFFFAOYSA-N
• XLogP: 19.02
• TPSA: 575.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 46
• Rotatable Bonds: 42
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2558.96
LogP ≤ 5	19.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The IUPAC name of 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 162178602) is 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.

What is the SMILES notation for 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The canonical SMILES for 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1)OC.CS(=O)(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1.Cc1ccc(S(=O)(=O)n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccncc2)cc1.O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(C(F)(F)F)cc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccncc2)n1CC1OCCO1)Nc1ccccc1.O=C(CSc1nnc(-c2ccncc2)n1S(=O)(=O)c1ccccc1)Nc1ccccc1.

What is the InChIKey of 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The InChIKey is ZOSKZUMJQCAYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5OS.C22H19N5O3S2.C21H17N5O3S2.C19H19N5O3S.C19H21N5O3S.C16H15N5O3S2/c23-22(24,25)16-6-8-18(9-7-16)30-20(15-10-12-26-13-11-15)28-29-21(30)32-14-19(31)27-17-4-2-1-3-5-17;1-16-7-9-19(10-8-16)32(29,30)27-21(17-11-13-23-14-12-17)25-26-22(27)31-15-20(28)24-18-5-3-2-4-6-18;27-19(23-17-7-3-1-4-8-17)15-30-21-25-24-20(16-11-13-22-14-12-16)26(21)31(28,29)18-9-5-2-6-10-18;25-16(21-15-4-2-1-3-5-15)13-28-19-23-22-18(14-6-8-20-9-7-14)24(19)12-17-26-10-11-27-17;1-26-17(27-2)12-24-18(14-8-10-20-11-9-14)22-23-19(24)28-13-16(25)21-15-6-4-3-5-7-15;1-26(23,24)21-15(12-7-9-17-10-8-12)19-20-16(21)25-11-14(22)18-13-5-3-2-4-6-13/h1-13H,14H2,(H,27,31);2-14H,15H2,1H3,(H,24,28);1-14H,15H2,(H,23,27);1-9,17H,10-13H2,(H,21,25);3-11,17H,12-13H2,1-2H3,(H,21,25);2-10H,11H2,1H3,(H,18,22).

What are the key properties of 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?

2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 2558.96 g/mol, XLogP of 19.02, 42 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 162178602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).