2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4,5-dichloro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;1-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-(4,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide

C183H207Cl2F2N47O13S9 — CID 159751292

IUPAC2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4,5-dichloro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;1-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-(4,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide
SMILESCCN(CC)c1ccc(-c2nnc(SC(C)(C)C(=O)Nc3ccccc3)n2CC)nc1.CCN(CC)c1ccc(-c2nnc(SC3(C(=O)Nc4ccccc4)CC3)n2CC)nc1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1cc(Cl)c(Cl)cn1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1cc(F)c(F)cn1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1cc(OC)c(C)cn1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1cc(OC)ccn1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccc(OC)cn1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccccn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C(C)=O)cn1
InChIInChI=1S/C23H28N6OS.C23H30N6OS.C21H25N5O2S.2C20H23N5O2S.C19H19Cl2N5OS.C19H19F2N5OS.C19H19N5O2S.C19H21N5OS/c1-4-28(5-2)18-12-13-19(24-16-18)20-26-27-22(29(20)6-3)31-23(14-15-23)21(30)25-17-10-8-7-9-11-17;1-6-28(7-2)18-14-15-19(24-16-18)20-26-27-22(29(20)8-3)31-23(4,5)21(30)25-17-12-10-9-11-13-17;1-6-26-18(16-12-17(28-5)14(2)13-22-16)24-25-20(26)29-21(3,4)19(27)23-15-10-8-7-9-11-15;1-5-25-17(16-13-15(27-4)11-12-21-16)23-24-19(25)28-20(2,3)18(26)22-14-9-7-6-8-10-14;1-5-25-17(16-12-11-15(27-4)13-21-16)23-24-19(25)28-20(2,3)18(26)22-14-9-7-6-8-10-14;2*1-4-26-16(15-10-13(20)14(21)11-22-15)24-25-18(26)28-19(2,3)17(27)23-12-8-6-5-7-9-12;1-3-24-18(16-10-9-14(11-20-16)13(2)25)22-23-19(24)27-12-17(26)21-15-7-5-4-6-8-15;1-4-24-16(15-12-8-9-13-20-15)22-23-18(24)26-19(2,3)17(25)21-14-10-6-5-7-11-14/h7-13,16H,4-6,14-15H2,1-3H3,(H,25,30);9-16H,6-8H2,1-5H3,(H,25,30);7-13H,6H2,1-5H3,(H,23,27);2*6-13H,5H2,1-4H3,(H,22,26);2*5-11H,4H2,1-3H3,(H,23,27);4-11H,3,12H2,1-2H3,(H,21,26);5-13H,4H2,1-3H3,(H,21,25)
InChIKeyNDRMLVHHIMEZFS-UHFFFAOYSA-N
MW3670.49 g/mol
LogP37.61
Rot. Bonds64

About 2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4,5-dichloro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;1-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-(4,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide

2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4,5-dichloro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;1-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-(4,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide (PubChem CID 159751292) has the molecular formula C183H207Cl2F2N47O13S9 and a molecular weight of 3670.49 g/mol. Its IUPAC name is 2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4,5-dichloro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;1-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-(4,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4,5-dichloro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;1-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-(4,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide
PubChem CID159751292
Molecular FormulaC183H207Cl2F2N47O13S9
Molecular Weight3670.49 g/mol
Exact Mass3666.38
IUPAC Name2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4,5-dichloro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;1-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-(4,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide
SMILESCCN(CC)c1ccc(-c2nnc(SC(C)(C)C(=O)Nc3ccccc3)n2CC)nc1.CCN(CC)c1ccc(-c2nnc(SC3(C(=O)Nc4ccccc4)CC3)n2CC)nc1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1cc(Cl)c(Cl)cn1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1cc(F)c(F)cn1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1cc(OC)c(C)cn1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1cc(OC)ccn1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccc(OC)cn1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccccn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C(C)=O)cn1
InChIInChI=1S/C23H28N6OS.C23H30N6OS.C21H25N5O2S.2C20H23N5O2S.C19H19Cl2N5OS.C19H19F2N5OS.C19H19N5O2S.C19H21N5OS/c1-4-28(5-2)18-12-13-19(24-16-18)20-26-27-22(29(20)6-3)31-23(14-15-23)21(30)25-17-10-8-7-9-11-17;1-6-28(7-2)18-14-15-19(24-16-18)20-26-27-22(29(20)8-3)31-23(4,5)21(30)25-17-12-10-9-11-13-17;1-6-26-18(16-12-17(28-5)14(2)13-22-16)24-25-20(26)29-21(3,4)19(27)23-15-10-8-7-9-11-15;1-5-25-17(16-13-15(27-4)11-12-21-16)23-24-19(25)28-20(2,3)18(26)22-14-9-7-6-8-10-14;1-5-25-17(16-12-11-15(27-4)13-21-16)23-24-19(25)28-20(2,3)18(26)22-14-9-7-6-8-10-14;2*1-4-26-16(15-10-13(20)14(21)11-22-15)24-25-18(26)28-19(2,3)17(27)23-12-8-6-5-7-9-12;1-3-24-18(16-10-9-14(11-20-16)13(2)25)22-23-19(24)27-12-17(26)21-15-7-5-4-6-8-15;1-4-24-16(15-12-8-9-13-20-15)22-23-18(24)26-19(2,3)17(25)21-14-10-6-5-7-11-14/h7-13,16H,4-6,14-15H2,1-3H3,(H,25,30);9-16H,6-8H2,1-5H3,(H,25,30);7-13H,6H2,1-5H3,(H,23,27);2*6-13H,5H2,1-4H3,(H,22,26);2*5-11H,4H2,1-3H3,(H,23,27);4-11H,3,12H2,1-2H3,(H,21,26);5-13H,4H2,1-3H3,(H,21,25)
InChIKeyNDRMLVHHIMEZFS-UHFFFAOYSA-N
XLogP37.61
TPSA705.54 Ų
H-Bond Donors9
H-Bond Acceptors60
Rotatable Bonds64
Heavy Atoms256
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003670.49
LogP ≤ 537.61
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1060

Analyze 2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4,5-dichloro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;1-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-(4,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4,5-dichloro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;1-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-(4,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide?
The IUPAC name of 2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4,5-dichloro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;1-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-(4,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide (CID 159751292) is 2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4,5-dichloro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;1-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-(4,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide.
What is the SMILES notation for 2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4,5-dichloro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;1-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-(4,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide?
The canonical SMILES for 2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4,5-dichloro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;1-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-(4,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide is CCN(CC)c1ccc(-c2nnc(SC(C)(C)C(=O)Nc3ccccc3)n2CC)nc1.CCN(CC)c1ccc(-c2nnc(SC3(C(=O)Nc4ccccc4)CC3)n2CC)nc1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1cc(Cl)c(Cl)cn1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1cc(F)c(F)cn1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1cc(OC)c(C)cn1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1cc(OC)ccn1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccc(OC)cn1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccccn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C(C)=O)cn1.
What is the InChIKey of 2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4,5-dichloro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;1-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-(4,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide?
The InChIKey is NDRMLVHHIMEZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6OS.C23H30N6OS.C21H25N5O2S.2C20H23N5O2S.C19H19Cl2N5OS.C19H19F2N5OS.C19H19N5O2S.C19H21N5OS/c1-4-28(5-2)18-12-13-19(24-16-18)20-26-27-22(29(20)6-3)31-23(14-15-23)21(30)25-17-10-8-7-9-11-17;1-6-28(7-2)18-14-15-19(24-16-18)20-26-27-22(29(20)8-3)31-23(4,5)21(30)25-17-12-10-9-11-13-17;1-6-26-18(16-12-17(28-5)14(2)13-22-16)24-25-20(26)29-21(3,4)19(27)23-15-10-8-7-9-11-15;1-5-25-17(16-13-15(27-4)11-12-21-16)23-24-19(25)28-20(2,3)18(26)22-14-9-7-6-8-10-14;1-5-25-17(16-12-11-15(27-4)13-21-16)23-24-19(25)28-20(2,3)18(26)22-14-9-7-6-8-10-14;2*1-4-26-16(15-10-13(20)14(21)11-22-15)24-25-18(26)28-19(2,3)17(27)23-12-8-6-5-7-9-12;1-3-24-18(16-10-9-14(11-20-16)13(2)25)22-23-19(24)27-12-17(26)21-15-7-5-4-6-8-15;1-4-24-16(15-12-8-9-13-20-15)22-23-18(24)26-19(2,3)17(25)21-14-10-6-5-7-11-14/h7-13,16H,4-6,14-15H2,1-3H3,(H,25,30);9-16H,6-8H2,1-5H3,(H,25,30);7-13H,6H2,1-5H3,(H,23,27);2*6-13H,5H2,1-4H3,(H,22,26);2*5-11H,4H2,1-3H3,(H,23,27);4-11H,3,12H2,1-2H3,(H,21,26);5-13H,4H2,1-3H3,(H,21,25).
What are the key properties of 2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4,5-dichloro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;1-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-(4,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide?
2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4,5-dichloro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;1-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-(4,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide has a molecular weight of 3670.49 g/mol, XLogP of 37.61, 64 rotatable bonds, 9 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-acetyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(4,5-dichloro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;1-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-(4,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(4-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[[4-ethyl-5-(5-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide is sourced from PubChem (CID 159751292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).