2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C195H228F3N45O10S9 — CID 161287904

IUPAC2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESC=CCn1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCCC(Sc1nnc(-c2ccncc2)n1CC)C(=O)Nc1ccc(C(C)C)cc1.CCn1c(SC(C)(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCn1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCn1c(SC(F)(F)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CC2)nnc1-c1ccncc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CCCC2)nnc1-c1ccncc1.CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2F)nnc1-c1ccncc1.CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2OC)nnc1-c1ccncc1
InChIInChI=1S/C24H29N5OS.C23H29N5OS.C22H25N5OS.C22H27N5OS.C22H25N5OS.C21H25N5O2S.C21H25N5OS.C20H21F2N5OS.C20H22FN5OS/c1-4-29-21(19-11-15-25-16-12-19)27-28-23(29)31-24(13-5-6-14-24)22(30)26-20-9-7-18(8-10-20)17(2)3;1-5-7-20(22(29)25-19-10-8-17(9-11-19)16(3)4)30-23-27-26-21(28(23)6-2)18-12-14-24-15-13-18;1-4-27-19(17-9-13-23-14-10-17)25-26-21(27)29-22(11-12-22)20(28)24-18-7-5-16(6-8-18)15(2)3;1-6-27-19(17-11-13-23-14-12-17)25-26-21(27)29-22(4,5)20(28)24-18-9-7-16(8-10-18)15(2)3;1-5-14-27-20(18-10-12-23-13-11-18)25-26-22(27)29-16(4)21(28)24-19-8-6-17(7-9-19)15(2)3;1-5-26-20(15-8-10-22-11-9-15)24-25-21(26)29-13-19(27)23-17-7-6-16(14(2)3)12-18(17)28-4;1-5-26-19(17-10-12-22-13-11-17)24-25-21(26)28-15(4)20(27)23-18-8-6-16(7-9-18)14(2)3;1-4-27-17(15-9-11-23-12-10-15)25-26-19(27)29-20(21,22)18(28)24-16-7-5-14(6-8-16)13(2)3;1-4-26-19(14-7-9-22-10-8-14)24-25-20(26)28-12-18(27)23-17-6-5-15(13(2)3)11-16(17)21/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,26,30);8-16,20H,5-7H2,1-4H3,(H,25,29);5-10,13-15H,4,11-12H2,1-3H3,(H,24,28);7-15H,6H2,1-5H3,(H,24,28);5-13,15-16H,1,14H2,2-4H3,(H,24,28);6-12,14H,5,13H2,1-4H3,(H,23,27);6-15H,5H2,1-4H3,(H,23,27);5-13H,4H2,1-3H3,(H,24,28);5-11,13H,4,12H2,1-3H3,(H,23,27)
InChIKeyVFYRQYGUBYAULD-UHFFFAOYSA-N
MW3707.87 g/mol
LogP43.40
Rot. Bonds67

About 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 161287904) has the molecular formula C195H228F3N45O10S9 and a molecular weight of 3707.87 g/mol. Its IUPAC name is 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID161287904
Molecular FormulaC195H228F3N45O10S9
Molecular Weight3707.87 g/mol
Exact Mass3704.62
IUPAC Name2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESC=CCn1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCCC(Sc1nnc(-c2ccncc2)n1CC)C(=O)Nc1ccc(C(C)C)cc1.CCn1c(SC(C)(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCn1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCn1c(SC(F)(F)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CC2)nnc1-c1ccncc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CCCC2)nnc1-c1ccncc1.CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2F)nnc1-c1ccncc1.CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2OC)nnc1-c1ccncc1
InChIInChI=1S/C24H29N5OS.C23H29N5OS.C22H25N5OS.C22H27N5OS.C22H25N5OS.C21H25N5O2S.C21H25N5OS.C20H21F2N5OS.C20H22FN5OS/c1-4-29-21(19-11-15-25-16-12-19)27-28-23(29)31-24(13-5-6-14-24)22(30)26-20-9-7-18(8-10-20)17(2)3;1-5-7-20(22(29)25-19-10-8-17(9-11-19)16(3)4)30-23-27-26-21(28(23)6-2)18-12-14-24-15-13-18;1-4-27-19(17-9-13-23-14-10-17)25-26-21(27)29-22(11-12-22)20(28)24-18-7-5-16(6-8-18)15(2)3;1-6-27-19(17-11-13-23-14-12-17)25-26-21(27)29-22(4,5)20(28)24-18-9-7-16(8-10-18)15(2)3;1-5-14-27-20(18-10-12-23-13-11-18)25-26-22(27)29-16(4)21(28)24-19-8-6-17(7-9-19)15(2)3;1-5-26-20(15-8-10-22-11-9-15)24-25-21(26)29-13-19(27)23-17-7-6-16(14(2)3)12-18(17)28-4;1-5-26-19(17-10-12-22-13-11-17)24-25-21(26)28-15(4)20(27)23-18-8-6-16(7-9-18)14(2)3;1-4-27-17(15-9-11-23-12-10-15)25-26-19(27)29-20(21,22)18(28)24-16-7-5-14(6-8-16)13(2)3;1-4-26-19(14-7-9-22-10-8-14)24-25-20(26)28-12-18(27)23-17-6-5-15(13(2)3)11-16(17)21/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,26,30);8-16,20H,5-7H2,1-4H3,(H,25,29);5-10,13-15H,4,11-12H2,1-3H3,(H,24,28);7-15H,6H2,1-5H3,(H,24,28);5-13,15-16H,1,14H2,2-4H3,(H,24,28);6-12,14H,5,13H2,1-4H3,(H,23,27);6-15H,5H2,1-4H3,(H,23,27);5-13H,4H2,1-3H3,(H,24,28);5-11,13H,4,12H2,1-3H3,(H,23,27)
InChIKeyVFYRQYGUBYAULD-UHFFFAOYSA-N
XLogP43.40
TPSA663.53 Ų
H-Bond Donors9
H-Bond Acceptors55
Rotatable Bonds67
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003707.87
LogP ≤ 543.40
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

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

Analyze 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide with MolForge

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Related Compounds

CID 157127751
CID 157127751
CID 157285009
CID 157285009
CID 157316669
CID 157316669
CID 157796756
CID 157796756
CID 157937445
CID 157937445
2-[[4-benzyl-5-(2-fluoro-4-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 159247555
2-[[4-benzyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 159379846
2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 160293894
CID 160577454
CID 160577454
N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-ethylphenyl)-2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 160589122
N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-ethylphenyl)-2-[[4-ethyl-5-[6-(trifluoromethoxy)-3-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-ethyl-5-[6-(trifluoromethoxy)-3-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 161569723
CID 161810615
CID 161810615

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 161287904) is 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide is C=CCn1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCCC(Sc1nnc(-c2ccncc2)n1CC)C(=O)Nc1ccc(C(C)C)cc1.CCn1c(SC(C)(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCn1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCn1c(SC(F)(F)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CC2)nnc1-c1ccncc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CCCC2)nnc1-c1ccncc1.CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2F)nnc1-c1ccncc1.CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2OC)nnc1-c1ccncc1.
What is the InChIKey of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is VFYRQYGUBYAULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS.C23H29N5OS.C22H25N5OS.C22H27N5OS.C22H25N5OS.C21H25N5O2S.C21H25N5OS.C20H21F2N5OS.C20H22FN5OS/c1-4-29-21(19-11-15-25-16-12-19)27-28-23(29)31-24(13-5-6-14-24)22(30)26-20-9-7-18(8-10-20)17(2)3;1-5-7-20(22(29)25-19-10-8-17(9-11-19)16(3)4)30-23-27-26-21(28(23)6-2)18-12-14-24-15-13-18;1-4-27-19(17-9-13-23-14-10-17)25-26-21(27)29-22(11-12-22)20(28)24-18-7-5-16(6-8-18)15(2)3;1-6-27-19(17-11-13-23-14-12-17)25-26-21(27)29-22(4,5)20(28)24-18-9-7-16(8-10-18)15(2)3;1-5-14-27-20(18-10-12-23-13-11-18)25-26-22(27)29-16(4)21(28)24-19-8-6-17(7-9-19)15(2)3;1-5-26-20(15-8-10-22-11-9-15)24-25-21(26)29-13-19(27)23-17-7-6-16(14(2)3)12-18(17)28-4;1-5-26-19(17-10-12-22-13-11-17)24-25-21(26)28-15(4)20(27)23-18-8-6-16(7-9-18)14(2)3;1-4-27-17(15-9-11-23-12-10-15)25-26-19(27)29-20(21,22)18(28)24-16-7-5-14(6-8-16)13(2)3;1-4-26-19(14-7-9-22-10-8-14)24-25-20(26)28-12-18(27)23-17-6-5-15(13(2)3)11-16(17)21/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,26,30);8-16,20H,5-7H2,1-4H3,(H,25,29);5-10,13-15H,4,11-12H2,1-3H3,(H,24,28);7-15H,6H2,1-5H3,(H,24,28);5-13,15-16H,1,14H2,2-4H3,(H,24,28);6-12,14H,5,13H2,1-4H3,(H,23,27);6-15H,5H2,1-4H3,(H,23,27);5-13H,4H2,1-3H3,(H,24,28);5-11,13H,4,12H2,1-3H3,(H,23,27).
What are the key properties of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 3707.87 g/mol, XLogP of 43.40, 67 rotatable bonds, 9 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;N-(4-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 161287904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).