2-[[4-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

C142H130F4N28O14S10 — CID 159865573

About 2-[[4-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

2-[[4-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 159865573) has the molecular formula C142H130F4N28O14S10 and a molecular weight of 2849.45 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: 2-[[4-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
• PubChem CID: 159865573
• Molecular Formula: C142H130F4N28O14S10
• Molecular Weight: 2849.45 g/mol
• Exact Mass: 2846.75
• IUPAC Name: 2-[[4-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
• SMILES: COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1)OC.COCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CS(=O)(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CSCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(C(F)(F)F)cc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccc2)n1S(=O)(=O)c1ccccc1)Nc1ccccc1
• InChI: InChI=1S/C23H17F3N4OS.C22H17FN4OS.C22H18N4O3S2.C20H22N4O3S.C19H20N4O2S.C19H20N4OS2.C17H16N4O3S2/c24-23(25,26)17-11-13-19(14-12-17)30-21(16-7-3-1-4-8-16)28-29-22(30)32-15-20(31)27-18-9-5-2-6-10-18;23-17-11-13-19(14-12-17)27-21(16-7-3-1-4-8-16)25-26-22(27)29-15-20(28)24-18-9-5-2-6-10-18;27-20(23-18-12-6-2-7-13-18)16-30-22-25-24-21(17-10-4-1-5-11-17)26(22)31(28,29)19-14-8-3-9-15-19;1-26-18(27-2)13-24-19(15-9-5-3-6-10-15)22-23-20(24)28-14-17(25)21-16-11-7-4-8-12-16;2*1-25-13-12-23-18(15-8-4-2-5-9-15)21-22-19(23)26-14-17(24)20-16-10-6-3-7-11-16;1-26(23,24)21-16(13-8-4-2-5-9-13)19-20-17(21)25-12-15(22)18-14-10-6-3-7-11-14/h1-14H,15H2,(H,27,31);1-14H,15H2,(H,24,28);1-15H,16H2,(H,23,27);3-12,18H,13-14H2,1-2H3,(H,21,25);2*2-11H,12-14H2,1H3,(H,20,24);2-11H,12H2,1H3,(H,18,22)
• InChIKey: NRRNQEVIFVTEPV-UHFFFAOYSA-N
• XLogP: 27.54
• TPSA: 514.64 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 43
• Rotatable Bonds: 50
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2849.45
LogP ≤ 5	27.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	43

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-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The IUPAC name of 2-[[4-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 159865573) is 2-[[4-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.

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

The canonical SMILES for 2-[[4-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1)OC.COCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CS(=O)(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CSCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(C(F)(F)F)cc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccc2)n1S(=O)(=O)c1ccccc1)Nc1ccccc1.

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

The InChIKey is NRRNQEVIFVTEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4OS.C22H17FN4OS.C22H18N4O3S2.C20H22N4O3S.C19H20N4O2S.C19H20N4OS2.C17H16N4O3S2/c24-23(25,26)17-11-13-19(14-12-17)30-21(16-7-3-1-4-8-16)28-29-22(30)32-15-20(31)27-18-9-5-2-6-10-18;23-17-11-13-19(14-12-17)27-21(16-7-3-1-4-8-16)25-26-22(27)29-15-20(28)24-18-9-5-2-6-10-18;27-20(23-18-12-6-2-7-13-18)16-30-22-25-24-21(17-10-4-1-5-11-17)26(22)31(28,29)19-14-8-3-9-15-19;1-26-18(27-2)13-24-19(15-9-5-3-6-10-15)22-23-20(24)28-14-17(25)21-16-11-7-4-8-12-16;2*1-25-13-12-23-18(15-8-4-2-5-9-15)21-22-19(23)26-14-17(24)20-16-10-6-3-7-11-16;1-26(23,24)21-16(13-8-4-2-5-9-13)19-20-17(21)25-12-15(22)18-14-10-6-3-7-11-14/h1-14H,15H2,(H,27,31);1-14H,15H2,(H,24,28);1-15H,16H2,(H,23,27);3-12,18H,13-14H2,1-2H3,(H,21,25);2*2-11H,12-14H2,1H3,(H,20,24);2-11H,12H2,1H3,(H,18,22).

What are the key properties of 2-[[4-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?

2-[[4-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 2849.45 g/mol, XLogP of 27.54, 50 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 159865573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).