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

C140H123F4N35O17S10 — CID 158852947

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

2-[[4-(benzenesulfonyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 158852947) has the molecular formula C140H123F4N35O17S10 and a molecular weight of 2964.41 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: 2-[[4-(benzenesulfonyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
• PubChem CID: 158852947
• Molecular Formula: C140H123F4N35O17S10
• Molecular Weight: 2964.41 g/mol
• Exact Mass: 2961.70
• IUPAC Name: 2-[[4-(benzenesulfonyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
• SMILES: COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1)OC.CS(=O)(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1.Cc1ccc(S(=O)(=O)n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccn2)cc1.O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(C(F)(F)F)cc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(F)cc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccn2)n1CC1OCCO1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccn2)n1S(=O)(=O)c1ccccc1)Nc1ccccc1
• InChI: InChI=1S/C22H16F3N5OS.C22H19N5O3S2.C21H16FN5OS.C21H17N5O3S2.C19H19N5O3S.C19H21N5O3S.C16H15N5O3S2/c23-22(24,25)15-9-11-17(12-10-15)30-20(18-8-4-5-13-26-18)28-29-21(30)32-14-19(31)27-16-6-2-1-3-7-16;1-16-10-12-18(13-11-16)32(29,30)27-21(19-9-5-6-14-23-19)25-26-22(27)31-15-20(28)24-17-7-3-2-4-8-17;22-15-9-11-17(12-10-15)27-20(18-8-4-5-13-23-18)25-26-21(27)29-14-19(28)24-16-6-2-1-3-7-16;27-19(23-16-9-3-1-4-10-16)15-30-21-25-24-20(18-13-7-8-14-22-18)26(21)31(28,29)17-11-5-2-6-12-17;25-16(21-14-6-2-1-3-7-14)13-28-19-23-22-18(15-8-4-5-9-20-15)24(19)12-17-26-10-11-27-17;1-26-17(27-2)12-24-18(15-10-6-7-11-20-15)22-23-19(24)28-13-16(25)21-14-8-4-3-5-9-14;1-26(23,24)21-15(13-9-5-6-10-17-13)19-20-16(21)25-11-14(22)18-12-7-3-2-4-8-12/h1-13H,14H2,(H,27,31);2-14H,15H2,1H3,(H,24,28);1-13H,14H2,(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: IZRNJDRILFBCNU-UHFFFAOYSA-N
• XLogP: 23.21
• TPSA: 648.24 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 52
• Rotatable Bonds: 48
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2964.41
LogP ≤ 5	23.21
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	52

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

The IUPAC name of 2-[[4-(benzenesulfonyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 158852947) is 2-[[4-(benzenesulfonyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.

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

The canonical SMILES for 2-[[4-(benzenesulfonyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1)OC.CS(=O)(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1.Cc1ccc(S(=O)(=O)n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccn2)cc1.O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(C(F)(F)F)cc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(F)cc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccn2)n1CC1OCCO1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccn2)n1S(=O)(=O)c1ccccc1)Nc1ccccc1.

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

The InChIKey is IZRNJDRILFBCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5OS.C22H19N5O3S2.C21H16FN5OS.C21H17N5O3S2.C19H19N5O3S.C19H21N5O3S.C16H15N5O3S2/c23-22(24,25)15-9-11-17(12-10-15)30-20(18-8-4-5-13-26-18)28-29-21(30)32-14-19(31)27-16-6-2-1-3-7-16;1-16-10-12-18(13-11-16)32(29,30)27-21(19-9-5-6-14-23-19)25-26-22(27)31-15-20(28)24-17-7-3-2-4-8-17;22-15-9-11-17(12-10-15)27-20(18-8-4-5-13-23-18)25-26-21(27)29-14-19(28)24-16-6-2-1-3-7-16;27-19(23-16-9-3-1-4-10-16)15-30-21-25-24-20(18-13-7-8-14-22-18)26(21)31(28,29)17-11-5-2-6-12-17;25-16(21-14-6-2-1-3-7-14)13-28-19-23-22-18(15-8-4-5-9-20-15)24(19)12-17-26-10-11-27-17;1-26-17(27-2)12-24-18(15-10-6-7-11-20-15)22-23-19(24)28-13-16(25)21-14-8-4-3-5-9-14;1-26(23,24)21-15(13-9-5-6-10-17-13)19-20-16(21)25-11-14(22)18-12-7-3-2-4-8-12/h1-13H,14H2,(H,27,31);2-14H,15H2,1H3,(H,24,28);1-13H,14H2,(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-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?

2-[[4-(benzenesulfonyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 2964.41 g/mol, XLogP of 23.21, 48 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(benzenesulfonyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 158852947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).