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;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide

C128H118N30O12S7 — CID 157438320

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;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide

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;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide (PubChem CID 157438320) has the molecular formula C128H118N30O12S7 and a molecular weight of 2493.02 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;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide.

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;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide
• PubChem CID: 157438320
• Molecular Formula: C128H118N30O12S7
• Molecular Weight: 2493.02 g/mol
• Exact Mass: 2490.76
• 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;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide
• SMILES: CCn1c(SC2(C(=O)Nc3ccccc3)CCC2)nnc1-c1ccccn1.COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1)OC.O=C(CSc1nnc(-c2ccccn2)n1CC1OCCO1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccn2)n1Cc1cccc2ccccc12)Nc1ccccc1.O=C(CSc1nnc(-c2ccccn2)n1S(=O)(=O)c1ccccc1)Nc1ccccc1.O=C(Nc1ccccc1)C1(Sc2nnc(-c3ccccn3)n2-c2ccccc2)CC1
• InChI: InChI=1S/C26H21N5OS.C23H19N5OS.C21H17N5O3S2.C20H21N5OS.C19H19N5O3S.C19H21N5O3S/c32-24(28-21-12-2-1-3-13-21)18-33-26-30-29-25(23-15-6-7-16-27-23)31(26)17-20-11-8-10-19-9-4-5-14-22(19)20;29-21(25-17-9-3-1-4-10-17)23(14-15-23)30-22-27-26-20(19-13-7-8-16-24-19)28(22)18-11-5-2-6-12-18;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;1-2-25-17(16-11-6-7-14-21-16)23-24-19(25)27-20(12-8-13-20)18(26)22-15-9-4-3-5-10-15;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/h1-16H,17-18H2,(H,28,32);1-13,16H,14-15H2,(H,25,29);1-14H,15H2,(H,23,27);3-7,9-11,14H,2,8,12-13H2,1H3,(H,22,26);1-9,17H,10-13H2,(H,21,25);3-11,17H,12-13H2,1-2H3,(H,21,25)
• InChIKey: BRJFANIXILSCLH-UHFFFAOYSA-N
• XLogP: 22.32
• TPSA: 507.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 42
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2493.02
LogP ≤ 5	22.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

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;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide?

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;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide (CID 157438320) 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;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide.

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;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide?

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;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide is CCn1c(SC2(C(=O)Nc3ccccc3)CCC2)nnc1-c1ccccn1.COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1)OC.O=C(CSc1nnc(-c2ccccn2)n1CC1OCCO1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccn2)n1Cc1cccc2ccccc12)Nc1ccccc1.O=C(CSc1nnc(-c2ccccn2)n1S(=O)(=O)c1ccccc1)Nc1ccccc1.O=C(Nc1ccccc1)C1(Sc2nnc(-c3ccccn3)n2-c2ccccc2)CC1.

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;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide?

The InChIKey is BRJFANIXILSCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5OS.C23H19N5OS.C21H17N5O3S2.C20H21N5OS.C19H19N5O3S.C19H21N5O3S/c32-24(28-21-12-2-1-3-13-21)18-33-26-30-29-25(23-15-6-7-16-27-23)31(26)17-20-11-8-10-19-9-4-5-14-22(19)20;29-21(25-17-9-3-1-4-10-17)23(14-15-23)30-22-27-26-20(19-13-7-8-16-24-19)28(22)18-11-5-2-6-12-18;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;1-2-25-17(16-11-6-7-14-21-16)23-24-19(25)27-20(12-8-13-20)18(26)22-15-9-4-3-5-10-15;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/h1-16H,17-18H2,(H,28,32);1-13,16H,14-15H2,(H,25,29);1-14H,15H2,(H,23,27);3-7,9-11,14H,2,8,12-13H2,1H3,(H,22,26);1-9,17H,10-13H2,(H,21,25);3-11,17H,12-13H2,1-2H3,(H,21,25).

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;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide?

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;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide has a molecular weight of 2493.02 g/mol, XLogP of 22.32, 42 rotatable bonds, 6 hydrogen bond donors, and 42 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;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 157438320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).