2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-fluoro-3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-isocyano-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-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-methyl-2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;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

C158H148F3N41O10S9 — CID 157084817

IUPAC2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-fluoro-3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-isocyano-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-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-methyl-2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;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
SMILESCC(C)(Sc1nnc(-c2ccccn2)n1S(C)(=O)=O)C(=O)Nc1ccccc1.CCn1c(SC2(C(=O)Nc3ccccc3)CCC2)nnc1-c1ccccn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C)cn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ncc(F)cc1F.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1nccc(F)c1C.O=C(CSc1nnc(-c2ccccn2)n1Cc1cccc2ccccc12)Nc1ccccc1.O=C(Nc1ccccc1)C1(Sc2nnc(-c3ccccn3)n2-c2ccccc2)CC1.[C-]#[N+]c1ccc(-c2nnc(SCC(=O)Nc3ccccc3)n2CC)nc1
InChIInChI=1S/C26H21N5OS.C23H19N5OS.C20H21N5OS.C18H18FN5OS.C18H16N6OS.C18H19N5O3S2.C18H19N5OS.C17H15F2N5OS/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;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;1-3-24-17(16-12(2)14(19)9-10-20-16)22-23-18(24)26-11-15(25)21-13-7-5-4-6-8-13;1-3-24-17(15-10-9-14(19-2)11-20-15)22-23-18(24)26-12-16(25)21-13-7-5-4-6-8-13;1-18(2,16(24)20-13-9-5-4-6-10-13)27-17-22-21-15(23(17)28(3,25)26)14-11-7-8-12-19-14;1-3-23-17(15-10-9-13(2)11-19-15)21-22-18(23)25-12-16(24)20-14-7-5-4-6-8-14;1-2-24-16(15-13(19)8-11(18)9-20-15)22-23-17(24)26-10-14(25)21-12-6-4-3-5-7-12/h1-16H,17-18H2,(H,28,32);1-13,16H,14-15H2,(H,25,29);3-7,9-11,14H,2,8,12-13H2,1H3,(H,22,26);4-10H,3,11H2,1-2H3,(H,21,25);4-11H,3,12H2,1H3,(H,21,25);4-12H,1-3H3,(H,20,24);4-11H,3,12H2,1-2H3,(H,20,24);3-9H,2,10H2,1H3,(H,21,25)
InChIKeyADYVKXKZDOZSHT-UHFFFAOYSA-N
MW3126.80 g/mol
LogP30.48
Rot. Bonds49

About 2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-fluoro-3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-isocyano-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-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-methyl-2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;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-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-fluoro-3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-isocyano-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-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-methyl-2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;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 157084817) has the molecular formula C158H148F3N41O10S9 and a molecular weight of 3126.80 g/mol. Its IUPAC name is 2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-fluoro-3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-isocyano-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-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-methyl-2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;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 Name2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-fluoro-3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-isocyano-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-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-methyl-2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;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 CID157084817
Molecular FormulaC158H148F3N41O10S9
Molecular Weight3126.80 g/mol
Exact Mass3123.98
IUPAC Name2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-fluoro-3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-isocyano-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-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-methyl-2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;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
SMILESCC(C)(Sc1nnc(-c2ccccn2)n1S(C)(=O)=O)C(=O)Nc1ccccc1.CCn1c(SC2(C(=O)Nc3ccccc3)CCC2)nnc1-c1ccccn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C)cn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ncc(F)cc1F.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1nccc(F)c1C.O=C(CSc1nnc(-c2ccccn2)n1Cc1cccc2ccccc12)Nc1ccccc1.O=C(Nc1ccccc1)C1(Sc2nnc(-c3ccccn3)n2-c2ccccc2)CC1.[C-]#[N+]c1ccc(-c2nnc(SCC(=O)Nc3ccccc3)n2CC)nc1
InChIInChI=1S/C26H21N5OS.C23H19N5OS.C20H21N5OS.C18H18FN5OS.C18H16N6OS.C18H19N5O3S2.C18H19N5OS.C17H15F2N5OS/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;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;1-3-24-17(16-12(2)14(19)9-10-20-16)22-23-18(24)26-11-15(25)21-13-7-5-4-6-8-13;1-3-24-17(15-10-9-14(19-2)11-20-15)22-23-18(24)26-12-16(25)21-13-7-5-4-6-8-13;1-18(2,16(24)20-13-9-5-4-6-10-13)27-17-22-21-15(23(17)28(3,25)26)14-11-7-8-12-19-14;1-3-23-17(15-10-9-13(2)11-19-15)21-22-18(23)25-12-16(24)20-14-7-5-4-6-8-14;1-2-24-16(15-13(19)8-11(18)9-20-15)22-23-17(24)26-10-14(25)21-12-6-4-3-5-7-12/h1-16H,17-18H2,(H,28,32);1-13,16H,14-15H2,(H,25,29);3-7,9-11,14H,2,8,12-13H2,1H3,(H,22,26);4-10H,3,11H2,1-2H3,(H,21,25);4-11H,3,12H2,1H3,(H,21,25);4-12H,1-3H3,(H,20,24);4-11H,3,12H2,1-2H3,(H,20,24);3-9H,2,10H2,1H3,(H,21,25)
InChIKeyADYVKXKZDOZSHT-UHFFFAOYSA-N
XLogP30.48
TPSA620.10 Ų
H-Bond Donors8
H-Bond Acceptors50
Rotatable Bonds49
Heavy Atoms221
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003126.80
LogP ≤ 530.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-fluoro-3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-isocyano-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-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-methyl-2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-fluoro-3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-isocyano-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-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-methyl-2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;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-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-fluoro-3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-isocyano-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-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-methyl-2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;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 157084817) is 2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-fluoro-3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-isocyano-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-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-methyl-2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;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-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-fluoro-3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-isocyano-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-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-methyl-2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;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-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-fluoro-3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-isocyano-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-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-methyl-2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;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 CC(C)(Sc1nnc(-c2ccccn2)n1S(C)(=O)=O)C(=O)Nc1ccccc1.CCn1c(SC2(C(=O)Nc3ccccc3)CCC2)nnc1-c1ccccn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C)cn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ncc(F)cc1F.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1nccc(F)c1C.O=C(CSc1nnc(-c2ccccn2)n1Cc1cccc2ccccc12)Nc1ccccc1.O=C(Nc1ccccc1)C1(Sc2nnc(-c3ccccn3)n2-c2ccccc2)CC1.[C-]#[N+]c1ccc(-c2nnc(SCC(=O)Nc3ccccc3)n2CC)nc1.
What is the InChIKey of 2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-fluoro-3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-isocyano-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-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-methyl-2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;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 ADYVKXKZDOZSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5OS.C23H19N5OS.C20H21N5OS.C18H18FN5OS.C18H16N6OS.C18H19N5O3S2.C18H19N5OS.C17H15F2N5OS/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;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;1-3-24-17(16-12(2)14(19)9-10-20-16)22-23-18(24)26-11-15(25)21-13-7-5-4-6-8-13;1-3-24-17(15-10-9-14(19-2)11-20-15)22-23-18(24)26-12-16(25)21-13-7-5-4-6-8-13;1-18(2,16(24)20-13-9-5-4-6-10-13)27-17-22-21-15(23(17)28(3,25)26)14-11-7-8-12-19-14;1-3-23-17(15-10-9-13(2)11-19-15)21-22-18(23)25-12-16(24)20-14-7-5-4-6-8-14;1-2-24-16(15-13(19)8-11(18)9-20-15)22-23-17(24)26-10-14(25)21-12-6-4-3-5-7-12/h1-16H,17-18H2,(H,28,32);1-13,16H,14-15H2,(H,25,29);3-7,9-11,14H,2,8,12-13H2,1H3,(H,22,26);4-10H,3,11H2,1-2H3,(H,21,25);4-11H,3,12H2,1H3,(H,21,25);4-12H,1-3H3,(H,20,24);4-11H,3,12H2,1-2H3,(H,20,24);3-9H,2,10H2,1H3,(H,21,25).
What are the key properties of 2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-fluoro-3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-isocyano-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-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-methyl-2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;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-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-fluoro-3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-isocyano-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-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-methyl-2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;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 3126.80 g/mol, XLogP of 30.48, 49 rotatable bonds, 8 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-fluoro-3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-isocyano-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-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-methyl-2-[(4-methylsulfonyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;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 157084817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).