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

C138H121F3N28O17S17 — CID 159969667

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

2-[[4-(benzenesulfonyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-thiophen-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 159969667) has the molecular formula C138H121F3N28O17S17 and a molecular weight of 3045.80 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-thiophen-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: 2-[[4-(benzenesulfonyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-thiophen-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
• PubChem CID: 159969667
• Molecular Formula: C138H121F3N28O17S17
• Molecular Weight: 3045.80 g/mol
• Exact Mass: 3042.47
• IUPAC Name: 2-[[4-(benzenesulfonyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-thiophen-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
• SMILES: COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1)OC.CS(=O)(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1.Cc1ccc(S(=O)(=O)n2c(SCC(=O)Nc3ccccc3)nnc2-c2cccs2)cc1.O=C(CSc1nnc(-c2cccs2)n1-c1ccc(C(F)(F)F)cc1)Nc1ccccc1.O=C(CSc1nnc(-c2cccs2)n1CC1OCCO1)Nc1ccccc1.O=C(CSc1nnc(-c2cccs2)n1Cc1cccc2ccccc12)Nc1ccccc1.O=C(CSc1nnc(-c2cccs2)n1S(=O)(=O)c1ccccc1)Nc1ccccc1
• InChI: InChI=1S/C25H20N4OS2.C21H15F3N4OS2.C21H18N4O3S3.C20H16N4O3S3.C18H18N4O3S2.C18H20N4O3S2.C15H14N4O3S3/c30-23(26-20-11-2-1-3-12-20)17-32-25-28-27-24(22-14-7-15-31-22)29(25)16-19-10-6-9-18-8-4-5-13-21(18)19;22-21(23,24)14-8-10-16(11-9-14)28-19(17-7-4-12-30-17)26-27-20(28)31-13-18(29)25-15-5-2-1-3-6-15;1-15-9-11-17(12-10-15)31(27,28)25-20(18-8-5-13-29-18)23-24-21(25)30-14-19(26)22-16-6-3-2-4-7-16;25-18(21-15-8-3-1-4-9-15)14-29-20-23-22-19(17-12-7-13-28-17)24(20)30(26,27)16-10-5-2-6-11-16;23-15(19-13-5-2-1-3-6-13)12-27-18-21-20-17(14-7-4-10-26-14)22(18)11-16-24-8-9-25-16;1-24-16(25-2)11-22-17(14-9-6-10-26-14)20-21-18(22)27-12-15(23)19-13-7-4-3-5-8-13;1-25(21,22)19-14(12-8-5-9-23-12)17-18-15(19)24-10-13(20)16-11-6-3-2-4-7-11/h1-15H,16-17H2,(H,26,30);1-12H,13H2,(H,25,29);2-13H,14H2,1H3,(H,22,26);1-13H,14H2,(H,21,25);1-7,10,16H,8-9,11-12H2,(H,19,23);3-10,16H,11-12H2,1-2H3,(H,19,23);2-9H,10H2,1H3,(H,16,20)
• InChIKey: OEJPAVBJOPSNMB-UHFFFAOYSA-N
• XLogP: 28.95
• TPSA: 558.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 52
• Rotatable Bonds: 49
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3045.80
LogP ≤ 5	28.95
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-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-thiophen-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The IUPAC name of 2-[[4-(benzenesulfonyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-thiophen-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 159969667) is 2-[[4-(benzenesulfonyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-thiophen-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.

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

The canonical SMILES for 2-[[4-(benzenesulfonyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-thiophen-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1)OC.CS(=O)(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1.Cc1ccc(S(=O)(=O)n2c(SCC(=O)Nc3ccccc3)nnc2-c2cccs2)cc1.O=C(CSc1nnc(-c2cccs2)n1-c1ccc(C(F)(F)F)cc1)Nc1ccccc1.O=C(CSc1nnc(-c2cccs2)n1CC1OCCO1)Nc1ccccc1.O=C(CSc1nnc(-c2cccs2)n1Cc1cccc2ccccc12)Nc1ccccc1.O=C(CSc1nnc(-c2cccs2)n1S(=O)(=O)c1ccccc1)Nc1ccccc1.

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

The InChIKey is OEJPAVBJOPSNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4OS2.C21H15F3N4OS2.C21H18N4O3S3.C20H16N4O3S3.C18H18N4O3S2.C18H20N4O3S2.C15H14N4O3S3/c30-23(26-20-11-2-1-3-12-20)17-32-25-28-27-24(22-14-7-15-31-22)29(25)16-19-10-6-9-18-8-4-5-13-21(18)19;22-21(23,24)14-8-10-16(11-9-14)28-19(17-7-4-12-30-17)26-27-20(28)31-13-18(29)25-15-5-2-1-3-6-15;1-15-9-11-17(12-10-15)31(27,28)25-20(18-8-5-13-29-18)23-24-21(25)30-14-19(26)22-16-6-3-2-4-7-16;25-18(21-15-8-3-1-4-9-15)14-29-20-23-22-19(17-12-7-13-28-17)24(20)30(26,27)16-10-5-2-6-11-16;23-15(19-13-5-2-1-3-6-13)12-27-18-21-20-17(14-7-4-10-26-14)22(18)11-16-24-8-9-25-16;1-24-16(25-2)11-22-17(14-9-6-10-26-14)20-21-18(22)27-12-15(23)19-13-7-4-3-5-8-13;1-25(21,22)19-14(12-8-5-9-23-12)17-18-15(19)24-10-13(20)16-11-6-3-2-4-7-11/h1-15H,16-17H2,(H,26,30);1-12H,13H2,(H,25,29);2-13H,14H2,1H3,(H,22,26);1-13H,14H2,(H,21,25);1-7,10,16H,8-9,11-12H2,(H,19,23);3-10,16H,11-12H2,1-2H3,(H,19,23);2-9H,10H2,1H3,(H,16,20).

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

2-[[4-(benzenesulfonyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-thiophen-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 3045.80 g/mol, XLogP of 28.95, 49 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(benzenesulfonyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-thiophen-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 159969667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).