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

C136H126N28O17S17 — CID 159222439

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

2-[[4-(benzenesulfonyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (PubChem CID 159222439) has the molecular formula C136H126N28O17S17 and a molecular weight of 2969.82 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[[4-(benzenesulfonyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
• PubChem CID: 159222439
• Molecular Formula: C136H126N28O17S17
• Molecular Weight: 2969.82 g/mol
• Exact Mass: 2966.51
• IUPAC Name: 2-[[4-(benzenesulfonyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
• SMILES: CCn1c(SC2(C(=O)Nc3ccccc3)CCC2)nnc1-c1ccsc1.COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccsc1)OC.CS(=O)(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccsc1.Cc1ccc(S(=O)(=O)n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccsc2)cc1.O=C(CSc1nnc(-c2ccsc2)n1CC1OCCO1)Nc1ccccc1.O=C(CSc1nnc(-c2ccsc2)n1Cc1cccc2ccccc12)Nc1ccccc1.O=C(CSc1nnc(-c2ccsc2)n1S(=O)(=O)c1ccccc1)Nc1ccccc1
• InChI: InChI=1S/C25H20N4OS2.C21H18N4O3S3.C20H16N4O3S3.C19H20N4OS2.C18H18N4O3S2.C18H20N4O3S2.C15H14N4O3S3/c30-23(26-21-10-2-1-3-11-21)17-32-25-28-27-24(20-13-14-31-16-20)29(25)15-19-9-6-8-18-7-4-5-12-22(18)19;1-15-7-9-18(10-8-15)31(27,28)25-20(16-11-12-29-13-16)23-24-21(25)30-14-19(26)22-17-5-3-2-4-6-17;25-18(21-16-7-3-1-4-8-16)14-29-20-23-22-19(15-11-12-28-13-15)24(20)30(26,27)17-9-5-2-6-10-17;1-2-23-16(14-9-12-25-13-14)21-22-18(23)26-19(10-6-11-19)17(24)20-15-7-4-3-5-8-15;23-15(19-14-4-2-1-3-5-14)12-27-18-21-20-17(13-6-9-26-11-13)22(18)10-16-24-7-8-25-16;1-24-16(25-2)10-22-17(13-8-9-26-11-13)20-21-18(22)27-12-15(23)19-14-6-4-3-5-7-14;1-25(21,22)19-14(11-7-8-23-9-11)17-18-15(19)24-10-13(20)16-12-5-3-2-4-6-12/h1-14,16H,15,17H2,(H,26,30);2-13H,14H2,1H3,(H,22,26);1-13H,14H2,(H,21,25);3-5,7-9,12-13H,2,6,10-11H2,1H3,(H,20,24);1-6,9,11,16H,7-8,10,12H2,(H,19,23);3-9,11,16H,10,12H2,1-2H3,(H,19,23);2-9H,10H2,1H3,(H,16,20)
• InChIKey: KRWDIWOCVFQEKP-UHFFFAOYSA-N
• XLogP: 27.89
• TPSA: 558.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 52
• Rotatable Bonds: 49
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2969.82
LogP ≤ 5	27.89
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-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?

The IUPAC name of 2-[[4-(benzenesulfonyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (CID 159222439) is 2-[[4-(benzenesulfonyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.

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

The canonical SMILES for 2-[[4-(benzenesulfonyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is CCn1c(SC2(C(=O)Nc3ccccc3)CCC2)nnc1-c1ccsc1.COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccsc1)OC.CS(=O)(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccsc1.Cc1ccc(S(=O)(=O)n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccsc2)cc1.O=C(CSc1nnc(-c2ccsc2)n1CC1OCCO1)Nc1ccccc1.O=C(CSc1nnc(-c2ccsc2)n1Cc1cccc2ccccc12)Nc1ccccc1.O=C(CSc1nnc(-c2ccsc2)n1S(=O)(=O)c1ccccc1)Nc1ccccc1.

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

The InChIKey is KRWDIWOCVFQEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4OS2.C21H18N4O3S3.C20H16N4O3S3.C19H20N4OS2.C18H18N4O3S2.C18H20N4O3S2.C15H14N4O3S3/c30-23(26-21-10-2-1-3-11-21)17-32-25-28-27-24(20-13-14-31-16-20)29(25)15-19-9-6-8-18-7-4-5-12-22(18)19;1-15-7-9-18(10-8-15)31(27,28)25-20(16-11-12-29-13-16)23-24-21(25)30-14-19(26)22-17-5-3-2-4-6-17;25-18(21-16-7-3-1-4-8-16)14-29-20-23-22-19(15-11-12-28-13-15)24(20)30(26,27)17-9-5-2-6-10-17;1-2-23-16(14-9-12-25-13-14)21-22-18(23)26-19(10-6-11-19)17(24)20-15-7-4-3-5-8-15;23-15(19-14-4-2-1-3-5-14)12-27-18-21-20-17(13-6-9-26-11-13)22(18)10-16-24-7-8-25-16;1-24-16(25-2)10-22-17(13-8-9-26-11-13)20-21-18(22)27-12-15(23)19-14-6-4-3-5-7-14;1-25(21,22)19-14(11-7-8-23-9-11)17-18-15(19)24-10-13(20)16-12-5-3-2-4-6-12/h1-14,16H,15,17H2,(H,26,30);2-13H,14H2,1H3,(H,22,26);1-13H,14H2,(H,21,25);3-5,7-9,12-13H,2,6,10-11H2,1H3,(H,20,24);1-6,9,11,16H,7-8,10,12H2,(H,19,23);3-9,11,16H,10,12H2,1-2H3,(H,19,23);2-9H,10H2,1H3,(H,16,20).

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

2-[[4-(benzenesulfonyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 2969.82 g/mol, XLogP of 27.89, 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-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 159222439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).