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

C196H230F3N45O10S9 — CID 157316669

IUPAC2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
SMILESCCCC(Sc1nnc(-c2ccccn2)n1CC)C(=O)Nc1ccc(C(C)C)cc1.CCn1c(SC(C)(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccn1.CCn1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccn1.CCn1c(SC(F)(F)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccn1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CC2)nnc1-c1ccccn1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CCCC2)nnc1-c1ccccn1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3C)CC2)nnc1-c1ccccn1.CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2F)nnc1-c1ccccn1.CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2OC)nnc1-c1ccccn1
InChIInChI=1S/C24H29N5OS.C23H27N5OS.C23H29N5OS.C22H25N5OS.C22H27N5OS.C21H25N5O2S.C21H25N5OS.C20H21F2N5OS.C20H22FN5OS/c1-4-29-21(20-9-5-8-16-25-20)27-28-23(29)31-24(14-6-7-15-24)22(30)26-19-12-10-18(11-13-19)17(2)3;1-5-28-20(19-8-6-7-13-24-19)26-27-22(28)30-23(11-12-23)21(29)25-18-10-9-17(15(2)3)14-16(18)4;1-5-9-20(22(29)25-18-13-11-17(12-14-18)16(3)4)30-23-27-26-21(28(23)6-2)19-10-7-8-15-24-19;1-4-27-19(18-7-5-6-14-23-18)25-26-21(27)29-22(12-13-22)20(28)24-17-10-8-16(9-11-17)15(2)3;1-6-27-19(18-9-7-8-14-23-18)25-26-21(27)29-22(4,5)20(28)24-17-12-10-16(11-13-17)15(2)3;1-5-26-20(17-8-6-7-11-22-17)24-25-21(26)29-13-19(27)23-16-10-9-15(14(2)3)12-18(16)28-4;1-5-26-19(18-8-6-7-13-22-18)24-25-21(26)28-15(4)20(27)23-17-11-9-16(10-12-17)14(2)3;1-4-27-17(16-7-5-6-12-23-16)25-26-19(27)29-20(21,22)18(28)24-15-10-8-14(9-11-15)13(2)3;1-4-26-19(17-7-5-6-10-22-17)24-25-20(26)28-12-18(27)23-16-9-8-14(13(2)3)11-15(16)21/h5,8-13,16-17H,4,6-7,14-15H2,1-3H3,(H,26,30);6-10,13-15H,5,11-12H2,1-4H3,(H,25,29);7-8,10-16,20H,5-6,9H2,1-4H3,(H,25,29);5-11,14-15H,4,12-13H2,1-3H3,(H,24,28);7-15H,6H2,1-5H3,(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)
InChIKeyBDRFTPSJRBFCFO-UHFFFAOYSA-N
MW3721.90 g/mol
LogP43.69
Rot. Bonds66

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

2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 157316669) has the molecular formula C196H230F3N45O10S9 and a molecular weight of 3721.90 g/mol. Its IUPAC name is 2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID157316669
Molecular FormulaC196H230F3N45O10S9
Molecular Weight3721.90 g/mol
Exact Mass3718.63
IUPAC Name2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
SMILESCCCC(Sc1nnc(-c2ccccn2)n1CC)C(=O)Nc1ccc(C(C)C)cc1.CCn1c(SC(C)(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccn1.CCn1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccn1.CCn1c(SC(F)(F)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccn1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CC2)nnc1-c1ccccn1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CCCC2)nnc1-c1ccccn1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3C)CC2)nnc1-c1ccccn1.CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2F)nnc1-c1ccccn1.CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2OC)nnc1-c1ccccn1
InChIInChI=1S/C24H29N5OS.C23H27N5OS.C23H29N5OS.C22H25N5OS.C22H27N5OS.C21H25N5O2S.C21H25N5OS.C20H21F2N5OS.C20H22FN5OS/c1-4-29-21(20-9-5-8-16-25-20)27-28-23(29)31-24(14-6-7-15-24)22(30)26-19-12-10-18(11-13-19)17(2)3;1-5-28-20(19-8-6-7-13-24-19)26-27-22(28)30-23(11-12-23)21(29)25-18-10-9-17(15(2)3)14-16(18)4;1-5-9-20(22(29)25-18-13-11-17(12-14-18)16(3)4)30-23-27-26-21(28(23)6-2)19-10-7-8-15-24-19;1-4-27-19(18-7-5-6-14-23-18)25-26-21(27)29-22(12-13-22)20(28)24-17-10-8-16(9-11-17)15(2)3;1-6-27-19(18-9-7-8-14-23-18)25-26-21(27)29-22(4,5)20(28)24-17-12-10-16(11-13-17)15(2)3;1-5-26-20(17-8-6-7-11-22-17)24-25-21(26)29-13-19(27)23-16-10-9-15(14(2)3)12-18(16)28-4;1-5-26-19(18-8-6-7-13-22-18)24-25-21(26)28-15(4)20(27)23-17-11-9-16(10-12-17)14(2)3;1-4-27-17(16-7-5-6-12-23-16)25-26-19(27)29-20(21,22)18(28)24-15-10-8-14(9-11-15)13(2)3;1-4-26-19(17-7-5-6-10-22-17)24-25-20(26)28-12-18(27)23-16-9-8-14(13(2)3)11-15(16)21/h5,8-13,16-17H,4,6-7,14-15H2,1-3H3,(H,26,30);6-10,13-15H,5,11-12H2,1-4H3,(H,25,29);7-8,10-16,20H,5-6,9H2,1-4H3,(H,25,29);5-11,14-15H,4,12-13H2,1-3H3,(H,24,28);7-15H,6H2,1-5H3,(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)
InChIKeyBDRFTPSJRBFCFO-UHFFFAOYSA-N
XLogP43.69
TPSA663.53 Ų
H-Bond Donors9
H-Bond Acceptors55
Rotatable Bonds66
Heavy Atoms263
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003721.90
LogP ≤ 543.69
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1055

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide (CID 157316669) is 2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide is CCCC(Sc1nnc(-c2ccccn2)n1CC)C(=O)Nc1ccc(C(C)C)cc1.CCn1c(SC(C)(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccn1.CCn1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccn1.CCn1c(SC(F)(F)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccn1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CC2)nnc1-c1ccccn1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CCCC2)nnc1-c1ccccn1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3C)CC2)nnc1-c1ccccn1.CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2F)nnc1-c1ccccn1.CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2OC)nnc1-c1ccccn1.
What is the InChIKey of 2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is BDRFTPSJRBFCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS.C23H27N5OS.C23H29N5OS.C22H25N5OS.C22H27N5OS.C21H25N5O2S.C21H25N5OS.C20H21F2N5OS.C20H22FN5OS/c1-4-29-21(20-9-5-8-16-25-20)27-28-23(29)31-24(14-6-7-15-24)22(30)26-19-12-10-18(11-13-19)17(2)3;1-5-28-20(19-8-6-7-13-24-19)26-27-22(28)30-23(11-12-23)21(29)25-18-10-9-17(15(2)3)14-16(18)4;1-5-9-20(22(29)25-18-13-11-17(12-14-18)16(3)4)30-23-27-26-21(28(23)6-2)19-10-7-8-15-24-19;1-4-27-19(18-7-5-6-14-23-18)25-26-21(27)29-22(12-13-22)20(28)24-17-10-8-16(9-11-17)15(2)3;1-6-27-19(18-9-7-8-14-23-18)25-26-21(27)29-22(4,5)20(28)24-17-12-10-16(11-13-17)15(2)3;1-5-26-20(17-8-6-7-11-22-17)24-25-21(26)29-13-19(27)23-16-10-9-15(14(2)3)12-18(16)28-4;1-5-26-19(18-8-6-7-13-22-18)24-25-21(26)28-15(4)20(27)23-17-11-9-16(10-12-17)14(2)3;1-4-27-17(16-7-5-6-12-23-16)25-26-19(27)29-20(21,22)18(28)24-15-10-8-14(9-11-15)13(2)3;1-4-26-19(17-7-5-6-10-22-17)24-25-20(26)28-12-18(27)23-16-9-8-14(13(2)3)11-15(16)21/h5,8-13,16-17H,4,6-7,14-15H2,1-3H3,(H,26,30);6-10,13-15H,5,11-12H2,1-4H3,(H,25,29);7-8,10-16,20H,5-6,9H2,1-4H3,(H,25,29);5-11,14-15H,4,12-13H2,1-3H3,(H,24,28);7-15H,6H2,1-5H3,(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-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?
2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 3721.90 g/mol, XLogP of 43.69, 66 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-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-propan-2-ylphenyl)acetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 157316669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).