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

C128H118N30O12S7 — CID 160637185

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

2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide (PubChem CID 160637185) has the molecular formula C128H118N30O12S7 and a molecular weight of 2493.02 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide
• PubChem CID: 160637185
• Molecular Formula: C128H118N30O12S7
• Molecular Weight: 2493.02 g/mol
• Exact Mass: 2490.76
• IUPAC Name: 2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide
• SMILES: CCn1c(SC2(C(=O)Nc3ccccc3)CCC2)nnc1-c1cccnc1.COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccnc1)OC.O=C(CSc1nnc(-c2cccnc2)n1CC1OCCO1)Nc1ccccc1.O=C(CSc1nnc(-c2cccnc2)n1Cc1cccc2ccccc12)Nc1ccccc1.O=C(CSc1nnc(-c2cccnc2)n1S(=O)(=O)c1ccccc1)Nc1ccccc1.O=C(Nc1ccccc1)C1(Sc2nnc(-c3cccnc3)n2-c2ccccc2)CC1
• InChI: InChI=1S/C26H21N5OS.C23H19N5OS.C21H17N5O3S2.C20H21N5OS.C19H19N5O3S.C19H21N5O3S/c32-24(28-22-12-2-1-3-13-22)18-33-26-30-29-25(20-11-7-15-27-16-20)31(26)17-21-10-6-9-19-8-4-5-14-23(19)21;29-21(25-18-9-3-1-4-10-18)23(13-14-23)30-22-27-26-20(17-8-7-15-24-16-17)28(22)19-11-5-2-6-12-19;27-19(23-17-9-3-1-4-10-17)15-30-21-25-24-20(16-8-7-13-22-14-16)26(21)31(28,29)18-11-5-2-6-12-18;1-2-25-17(15-8-6-13-21-14-15)23-24-19(25)27-20(11-7-12-20)18(26)22-16-9-4-3-5-10-16;25-16(21-15-6-2-1-3-7-15)13-28-19-23-22-18(14-5-4-8-20-11-14)24(19)12-17-26-9-10-27-17;1-26-17(27-2)12-24-18(14-7-6-10-20-11-14)22-23-19(24)28-13-16(25)21-15-8-4-3-5-9-15/h1-16H,17-18H2,(H,28,32);1-12,15-16H,13-14H2,(H,25,29);1-14H,15H2,(H,23,27);3-6,8-10,13-14H,2,7,11-12H2,1H3,(H,22,26);1-8,11,17H,9-10,12-13H2,(H,21,25);3-11,17H,12-13H2,1-2H3,(H,21,25)
• InChIKey: RIRMVEVGTHUKEN-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-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide?

The IUPAC name of 2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide (CID 160637185) is 2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide.

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

The canonical SMILES for 2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide is CCn1c(SC2(C(=O)Nc3ccccc3)CCC2)nnc1-c1cccnc1.COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccnc1)OC.O=C(CSc1nnc(-c2cccnc2)n1CC1OCCO1)Nc1ccccc1.O=C(CSc1nnc(-c2cccnc2)n1Cc1cccc2ccccc12)Nc1ccccc1.O=C(CSc1nnc(-c2cccnc2)n1S(=O)(=O)c1ccccc1)Nc1ccccc1.O=C(Nc1ccccc1)C1(Sc2nnc(-c3cccnc3)n2-c2ccccc2)CC1.

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

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

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

2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-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-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 160637185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).