2-[[4-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;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

C165H147F5N32O13S11 — CID 160575744

About 2-[[4-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;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-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;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 160575744) has the molecular formula C165H147F5N32O13S11 and a molecular weight of 3233.93 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;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-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;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: 160575744
• Molecular Formula: C165H147F5N32O13S11
• Molecular Weight: 3233.93 g/mol
• Exact Mass: 3230.87
• IUPAC Name: 2-[[4-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;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: CC(c1ccccc1)n1c(SC(F)C(=O)Nc2ccccc2)nnc1-c1ccccc1.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)n1C1CC1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccc2)n1S(=O)(=O)c1ccccc1)Nc1ccccc1
• InChI: InChI=1S/C24H21FN4OS.C23H17F3N4OS.C22H17FN4OS.C22H18N4O3S2.C19H20N4O2S.C19H20N4OS2.C19H18N4OS.C17H16N4O3S2/c1-17(18-11-5-2-6-12-18)29-22(19-13-7-3-8-14-19)27-28-24(29)31-21(25)23(30)26-20-15-9-4-10-16-20;24-23(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;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;24-17(20-15-9-5-2-6-10-15)13-25-19-22-21-18(23(19)16-11-12-16)14-7-3-1-4-8-14;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/h2-17,21H,1H3,(H,26,30);1-14H,15H2,(H,27,31);1-14H,15H2,(H,24,28);1-15H,16H2,(H,23,27);2*2-11H,12-14H2,1H3,(H,20,24);1-10,16H,11-13H2,(H,20,24);2-11H,12H2,1H3,(H,18,22)
• InChIKey: RBCWUAHHMXFJJU-UHFFFAOYSA-N
• XLogP: 33.84
• TPSA: 555.99 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 46
• Rotatable Bonds: 54
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3233.93
LogP ≤ 5	33.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	46

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-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;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-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;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 160575744) is 2-[[4-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;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-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;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-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;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 CC(c1ccccc1)n1c(SC(F)C(=O)Nc2ccccc2)nnc1-c1ccccc1.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)n1C1CC1)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-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;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 RBCWUAHHMXFJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4OS.C23H17F3N4OS.C22H17FN4OS.C22H18N4O3S2.C19H20N4O2S.C19H20N4OS2.C19H18N4OS.C17H16N4O3S2/c1-17(18-11-5-2-6-12-18)29-22(19-13-7-3-8-14-19)27-28-24(29)31-21(25)23(30)26-20-15-9-4-10-16-20;24-23(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;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;24-17(20-15-9-5-2-6-10-15)13-25-19-22-21-18(23(19)16-11-12-16)14-7-3-1-4-8-14;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/h2-17,21H,1H3,(H,26,30);1-14H,15H2,(H,27,31);1-14H,15H2,(H,24,28);1-15H,16H2,(H,23,27);2*2-11H,12-14H2,1H3,(H,20,24);1-10,16H,11-13H2,(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-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;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-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;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 3233.93 g/mol, XLogP of 33.84, 54 rotatable bonds, 8 hydrogen bond donors, and 46 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-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;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 160575744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).