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

C166H152N40O18S11 — CID 159617135

IUPAC2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide
SMILESCCn1c(SC2(C(=O)Nc3ccccc3)CCC2)nnc1-c1ccncc1.COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1)OC.CS(=O)(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1.Cc1ccc(S(=O)(=O)n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccncc2)cc1.O=C(CSc1nnc(-c2ccncc2)n1CC1OCCO1)Nc1ccccc1.O=C(CSc1nnc(-c2ccncc2)n1Cc1cccc2ccccc12)Nc1ccccc1.O=C(CSc1nnc(-c2ccncc2)n1S(=O)(=O)c1ccccc1)Nc1ccccc1.O=C(Nc1ccccc1)C1(Sc2nnc(-c3ccncc3)n2-c2ccccc2)CC1
InChIInChI=1S/C26H21N5OS.C23H19N5OS.C22H19N5O3S2.C21H17N5O3S2.C20H21N5OS.C19H19N5O3S.C19H21N5O3S.C16H15N5O3S2/c32-24(28-22-10-2-1-3-11-22)18-33-26-30-29-25(20-13-15-27-16-14-20)31(26)17-21-9-6-8-19-7-4-5-12-23(19)21;29-21(25-18-7-3-1-4-8-18)23(13-14-23)30-22-27-26-20(17-11-15-24-16-12-17)28(22)19-9-5-2-6-10-19;1-16-7-9-19(10-8-16)32(29,30)27-21(17-11-13-23-14-12-17)25-26-22(27)31-15-20(28)24-18-5-3-2-4-6-18;27-19(23-17-7-3-1-4-8-17)15-30-21-25-24-20(16-11-13-22-14-12-16)26(21)31(28,29)18-9-5-2-6-10-18;1-2-25-17(15-9-13-21-14-10-15)23-24-19(25)27-20(11-6-12-20)18(26)22-16-7-4-3-5-8-16;25-16(21-15-4-2-1-3-5-15)13-28-19-23-22-18(14-6-8-20-9-7-14)24(19)12-17-26-10-11-27-17;1-26-17(27-2)12-24-18(14-8-10-20-11-9-14)22-23-19(24)28-13-16(25)21-15-6-4-3-5-7-15;1-26(23,24)21-15(12-7-9-17-10-8-12)19-20-16(21)25-11-14(22)18-13-5-3-2-4-6-13/h1-16H,17-18H2,(H,28,32);1-12,15-16H,13-14H2,(H,25,29);2-14H,15H2,1H3,(H,24,28);1-14H,15H2,(H,23,27);3-5,7-10,13-14H,2,6,11-12H2,1H3,(H,22,26);1-9,17H,10-13H2,(H,21,25);3-11,17H,12-13H2,1-2H3,(H,21,25);2-10H,11H2,1H3,(H,18,22)
InChIKeyMNKQRKYCOVREOG-UHFFFAOYSA-N
MW3348.04 g/mol
LogP27.82
Rot. Bonds55

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

2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide (PubChem CID 159617135) has the molecular formula C166H152N40O18S11 and a molecular weight of 3348.04 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide
PubChem CID159617135
Molecular FormulaC166H152N40O18S11
Molecular Weight3348.04 g/mol
Exact Mass3344.91
IUPAC Name2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide
SMILESCCn1c(SC2(C(=O)Nc3ccccc3)CCC2)nnc1-c1ccncc1.COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1)OC.CS(=O)(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1.Cc1ccc(S(=O)(=O)n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccncc2)cc1.O=C(CSc1nnc(-c2ccncc2)n1CC1OCCO1)Nc1ccccc1.O=C(CSc1nnc(-c2ccncc2)n1Cc1cccc2ccccc12)Nc1ccccc1.O=C(CSc1nnc(-c2ccncc2)n1S(=O)(=O)c1ccccc1)Nc1ccccc1.O=C(Nc1ccccc1)C1(Sc2nnc(-c3ccncc3)n2-c2ccccc2)CC1
InChIInChI=1S/C26H21N5OS.C23H19N5OS.C22H19N5O3S2.C21H17N5O3S2.C20H21N5OS.C19H19N5O3S.C19H21N5O3S.C16H15N5O3S2/c32-24(28-22-10-2-1-3-11-22)18-33-26-30-29-25(20-13-15-27-16-14-20)31(26)17-21-9-6-8-19-7-4-5-12-23(19)21;29-21(25-18-7-3-1-4-8-18)23(13-14-23)30-22-27-26-20(17-11-15-24-16-12-17)28(22)19-9-5-2-6-10-19;1-16-7-9-19(10-8-16)32(29,30)27-21(17-11-13-23-14-12-17)25-26-22(27)31-15-20(28)24-18-5-3-2-4-6-18;27-19(23-17-7-3-1-4-8-17)15-30-21-25-24-20(16-11-13-22-14-12-16)26(21)31(28,29)18-9-5-2-6-10-18;1-2-25-17(15-9-13-21-14-10-15)23-24-19(25)27-20(11-6-12-20)18(26)22-16-7-4-3-5-8-16;25-16(21-15-4-2-1-3-5-15)13-28-19-23-22-18(14-6-8-20-9-7-14)24(19)12-17-26-10-11-27-17;1-26-17(27-2)12-24-18(14-8-10-20-11-9-14)22-23-19(24)28-13-16(25)21-15-6-4-3-5-7-15;1-26(23,24)21-15(12-7-9-17-10-8-12)19-20-16(21)25-11-14(22)18-13-5-3-2-4-6-13/h1-16H,17-18H2,(H,28,32);1-12,15-16H,13-14H2,(H,25,29);2-14H,15H2,1H3,(H,24,28);1-14H,15H2,(H,23,27);3-5,7-10,13-14H,2,6,11-12H2,1H3,(H,22,26);1-9,17H,10-13H2,(H,21,25);3-11,17H,12-13H2,1-2H3,(H,21,25);2-10H,11H2,1H3,(H,18,22)
InChIKeyMNKQRKYCOVREOG-UHFFFAOYSA-N
XLogP27.82
TPSA720.94 Ų
H-Bond Donors8
H-Bond Acceptors58
Rotatable Bonds55
Heavy Atoms235
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003348.04
LogP ≤ 527.82
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide (CID 159617135) is 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide is CCn1c(SC2(C(=O)Nc3ccccc3)CCC2)nnc1-c1ccncc1.COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1)OC.CS(=O)(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1.Cc1ccc(S(=O)(=O)n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccncc2)cc1.O=C(CSc1nnc(-c2ccncc2)n1CC1OCCO1)Nc1ccccc1.O=C(CSc1nnc(-c2ccncc2)n1Cc1cccc2ccccc12)Nc1ccccc1.O=C(CSc1nnc(-c2ccncc2)n1S(=O)(=O)c1ccccc1)Nc1ccccc1.O=C(Nc1ccccc1)C1(Sc2nnc(-c3ccncc3)n2-c2ccccc2)CC1.
What is the InChIKey of 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide?
The InChIKey is MNKQRKYCOVREOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5OS.C23H19N5OS.C22H19N5O3S2.C21H17N5O3S2.C20H21N5OS.C19H19N5O3S.C19H21N5O3S.C16H15N5O3S2/c32-24(28-22-10-2-1-3-11-22)18-33-26-30-29-25(20-13-15-27-16-14-20)31(26)17-21-9-6-8-19-7-4-5-12-23(19)21;29-21(25-18-7-3-1-4-8-18)23(13-14-23)30-22-27-26-20(17-11-15-24-16-12-17)28(22)19-9-5-2-6-10-19;1-16-7-9-19(10-8-16)32(29,30)27-21(17-11-13-23-14-12-17)25-26-22(27)31-15-20(28)24-18-5-3-2-4-6-18;27-19(23-17-7-3-1-4-8-17)15-30-21-25-24-20(16-11-13-22-14-12-16)26(21)31(28,29)18-9-5-2-6-10-18;1-2-25-17(15-9-13-21-14-10-15)23-24-19(25)27-20(11-6-12-20)18(26)22-16-7-4-3-5-8-16;25-16(21-15-4-2-1-3-5-15)13-28-19-23-22-18(14-6-8-20-9-7-14)24(19)12-17-26-10-11-27-17;1-26-17(27-2)12-24-18(14-8-10-20-11-9-14)22-23-19(24)28-13-16(25)21-15-6-4-3-5-7-15;1-26(23,24)21-15(12-7-9-17-10-8-12)19-20-16(21)25-11-14(22)18-13-5-3-2-4-6-13/h1-16H,17-18H2,(H,28,32);1-12,15-16H,13-14H2,(H,25,29);2-14H,15H2,1H3,(H,24,28);1-14H,15H2,(H,23,27);3-5,7-10,13-14H,2,6,11-12H2,1H3,(H,22,26);1-9,17H,10-13H2,(H,21,25);3-11,17H,12-13H2,1-2H3,(H,21,25);2-10H,11H2,1H3,(H,18,22).
What are the key properties of 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide?
2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide has a molecular weight of 3348.04 g/mol, XLogP of 27.82, 55 rotatable bonds, 8 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(benzenesulfonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 159617135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).