N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)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

C226H252F13N57O14S11 — CID 157285009

IUPACN-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)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
SMILESCCc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(N(C)C)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(N(CC)CC)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(OC(F)(F)F)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cn3)n2CC)cc1.CCn1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ncc(F)cc1F.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CCC2)nnc1-c1ncc(F)cc1F.CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccccn1.CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ncc(F)cc1F.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C23H25F2N5OS.C23H30N6OS.C21H23F2N5OS.C21H26N6OS.C21H25N5OS.C20H20F3N5O2S.C20H21F2N5OS.C20H23N5O2S.C20H23N5OS.C19H20FN5OS.C18H16F3N5O2S/c1-4-30-20(19-18(25)12-16(24)13-26-19)28-29-22(30)32-23(10-5-11-23)21(31)27-17-8-6-15(7-9-17)14(2)3;1-5-17-9-11-18(12-10-17)25-21(30)16-31-23-27-26-22(29(23)8-4)20-14-13-19(15-24-20)28(6-2)7-3;1-5-28-19(18-17(23)10-15(22)11-24-18)26-27-21(28)30-13(4)20(29)25-16-8-6-14(7-9-16)12(2)3;1-5-15-7-9-16(10-8-15)23-19(28)14-29-21-25-24-20(27(21)6-2)18-12-11-17(13-22-18)26(3)4;1-5-26-19(17-8-6-7-13-22-17)24-25-20(26)28-14-18(27)23-16-11-9-15(10-12-16)21(2,3)4;1-3-13-5-7-14(8-6-13)25-17(29)12-31-19-27-26-18(28(19)4-2)16-10-9-15(11-24-16)30-20(21,22)23;1-4-27-19(18-16(22)9-14(21)10-23-18)25-26-20(27)29-11-17(28)24-15-7-5-13(6-8-15)12(2)3;1-4-14-6-8-15(9-7-14)22-18(26)13-28-20-24-23-19(25(20)5-2)17-11-10-16(27-3)12-21-17;1-4-15-7-9-16(10-8-15)22-18(26)13-27-20-24-23-19(25(20)5-2)17-11-6-14(3)12-21-17;1-3-13-5-8-15(9-6-13)22-17(26)12-27-19-24-23-18(25(19)4-2)16-10-7-14(20)11-21-16;1-2-26-16(14-9-8-13(10-22-14)28-18(19,20)21)24-25-17(26)29-11-15(27)23-12-6-4-3-5-7-12/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,27,31);9-15H,5-8,16H2,1-4H3,(H,25,30);6-13H,5H2,1-4H3,(H,25,29);7-13H,5-6,14H2,1-4H3,(H,23,28);6-13H,5,14H2,1-4H3,(H,23,27);5-11H,3-4,12H2,1-2H3,(H,25,29);5-10,12H,4,11H2,1-3H3,(H,24,28);6-12H,4-5,13H2,1-3H3,(H,22,26);6-12H,4-5,13H2,1-3H3,(H,22,26);5-11H,3-4,12H2,1-2H3,(H,22,26);3-10H,2,11H2,1H3,(H,23,27)
InChIKeyBACVKQYWXIUYGT-UHFFFAOYSA-N
MW4590.60 g/mol
LogP47.35
Rot. Bonds82

About N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)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

N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)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 (PubChem CID 157285009) has the molecular formula C226H252F13N57O14S11 and a molecular weight of 4590.60 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)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.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)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
PubChem CID157285009
Molecular FormulaC226H252F13N57O14S11
Molecular Weight4590.60 g/mol
Exact Mass4586.75
IUPAC NameN-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)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
SMILESCCc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(N(C)C)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(N(CC)CC)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(OC(F)(F)F)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cn3)n2CC)cc1.CCn1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ncc(F)cc1F.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CCC2)nnc1-c1ncc(F)cc1F.CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccccn1.CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ncc(F)cc1F.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C23H25F2N5OS.C23H30N6OS.C21H23F2N5OS.C21H26N6OS.C21H25N5OS.C20H20F3N5O2S.C20H21F2N5OS.C20H23N5O2S.C20H23N5OS.C19H20FN5OS.C18H16F3N5O2S/c1-4-30-20(19-18(25)12-16(24)13-26-19)28-29-22(30)32-23(10-5-11-23)21(31)27-17-8-6-15(7-9-17)14(2)3;1-5-17-9-11-18(12-10-17)25-21(30)16-31-23-27-26-22(29(23)8-4)20-14-13-19(15-24-20)28(6-2)7-3;1-5-28-19(18-17(23)10-15(22)11-24-18)26-27-21(28)30-13(4)20(29)25-16-8-6-14(7-9-16)12(2)3;1-5-15-7-9-16(10-8-15)23-19(28)14-29-21-25-24-20(27(21)6-2)18-12-11-17(13-22-18)26(3)4;1-5-26-19(17-8-6-7-13-22-17)24-25-20(26)28-14-18(27)23-16-11-9-15(10-12-16)21(2,3)4;1-3-13-5-7-14(8-6-13)25-17(29)12-31-19-27-26-18(28(19)4-2)16-10-9-15(11-24-16)30-20(21,22)23;1-4-27-19(18-16(22)9-14(21)10-23-18)25-26-20(27)29-11-17(28)24-15-7-5-13(6-8-15)12(2)3;1-4-14-6-8-15(9-7-14)22-18(26)13-28-20-24-23-19(25(20)5-2)17-11-10-16(27-3)12-21-17;1-4-15-7-9-16(10-8-15)22-18(26)13-27-20-24-23-19(25(20)5-2)17-11-6-14(3)12-21-17;1-3-13-5-8-15(9-6-13)22-17(26)12-27-19-24-23-18(25(19)4-2)16-10-7-14(20)11-21-16;1-2-26-16(14-9-8-13(10-22-14)28-18(19,20)21)24-25-17(26)29-11-15(27)23-12-6-4-3-5-7-12/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,27,31);9-15H,5-8,16H2,1-4H3,(H,25,30);6-13H,5H2,1-4H3,(H,25,29);7-13H,5-6,14H2,1-4H3,(H,23,28);6-13H,5,14H2,1-4H3,(H,23,27);5-11H,3-4,12H2,1-2H3,(H,25,29);5-10,12H,4,11H2,1-3H3,(H,24,28);6-12H,4-5,13H2,1-3H3,(H,22,26);6-12H,4-5,13H2,1-3H3,(H,22,26);5-11H,3-4,12H2,1-2H3,(H,22,26);3-10H,2,11H2,1H3,(H,23,27)
InChIKeyBACVKQYWXIUYGT-UHFFFAOYSA-N
XLogP47.35
TPSA833.87 Ų
H-Bond Donors11
H-Bond Acceptors71
Rotatable Bonds82
Heavy Atoms321
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004590.60
LogP ≤ 547.35
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1071

Analyze N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)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?
The IUPAC name of N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)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 157285009) is N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)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.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)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?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)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 is CCc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(N(C)C)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(N(CC)CC)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(OC(F)(F)F)cn3)n2CC)cc1.CCc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cn3)n2CC)cc1.CCn1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ncc(F)cc1F.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CCC2)nnc1-c1ncc(F)cc1F.CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccccn1.CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ncc(F)cc1F.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(OC(F)(F)F)cn1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)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?
The InChIKey is BACVKQYWXIUYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5OS.C23H30N6OS.C21H23F2N5OS.C21H26N6OS.C21H25N5OS.C20H20F3N5O2S.C20H21F2N5OS.C20H23N5O2S.C20H23N5OS.C19H20FN5OS.C18H16F3N5O2S/c1-4-30-20(19-18(25)12-16(24)13-26-19)28-29-22(30)32-23(10-5-11-23)21(31)27-17-8-6-15(7-9-17)14(2)3;1-5-17-9-11-18(12-10-17)25-21(30)16-31-23-27-26-22(29(23)8-4)20-14-13-19(15-24-20)28(6-2)7-3;1-5-28-19(18-17(23)10-15(22)11-24-18)26-27-21(28)30-13(4)20(29)25-16-8-6-14(7-9-16)12(2)3;1-5-15-7-9-16(10-8-15)23-19(28)14-29-21-25-24-20(27(21)6-2)18-12-11-17(13-22-18)26(3)4;1-5-26-19(17-8-6-7-13-22-17)24-25-20(26)28-14-18(27)23-16-11-9-15(10-12-16)21(2,3)4;1-3-13-5-7-14(8-6-13)25-17(29)12-31-19-27-26-18(28(19)4-2)16-10-9-15(11-24-16)30-20(21,22)23;1-4-27-19(18-16(22)9-14(21)10-23-18)25-26-20(27)29-11-17(28)24-15-7-5-13(6-8-15)12(2)3;1-4-14-6-8-15(9-7-14)22-18(26)13-28-20-24-23-19(25(20)5-2)17-11-10-16(27-3)12-21-17;1-4-15-7-9-16(10-8-15)22-18(26)13-27-20-24-23-19(25(20)5-2)17-11-6-14(3)12-21-17;1-3-13-5-8-15(9-6-13)22-17(26)12-27-19-24-23-18(25(19)4-2)16-10-7-14(20)11-21-16;1-2-26-16(14-9-8-13(10-22-14)28-18(19,20)21)24-25-17(26)29-11-15(27)23-12-6-4-3-5-7-12/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,27,31);9-15H,5-8,16H2,1-4H3,(H,25,30);6-13H,5H2,1-4H3,(H,25,29);7-13H,5-6,14H2,1-4H3,(H,23,28);6-13H,5,14H2,1-4H3,(H,23,27);5-11H,3-4,12H2,1-2H3,(H,25,29);5-10,12H,4,11H2,1-3H3,(H,24,28);6-12H,4-5,13H2,1-3H3,(H,22,26);6-12H,4-5,13H2,1-3H3,(H,22,26);5-11H,3-4,12H2,1-2H3,(H,22,26);3-10H,2,11H2,1H3,(H,23,27).
What are the key properties of N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)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?
N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)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 has a molecular weight of 4590.60 g/mol, XLogP of 47.35, 82 rotatable bonds, 11 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide;1-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-[5-(dimethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide;2-[[4-ethyl-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)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 is sourced from PubChem (CID 157285009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).