2-[(4-tert-butyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2-methoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[[5-pyridin-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C147H142F4N40O9S9 — CID 159579398

About 2-[(4-tert-butyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2-methoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[[5-pyridin-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

2-[(4-tert-butyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2-methoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[[5-pyridin-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 159579398) has the molecular formula C147H142F4N40O9S9 and a molecular weight of 2977.62 g/mol. Its IUPAC name is 2-[(4-tert-butyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2-methoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[[5-pyridin-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-tert-butyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2-methoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[[5-pyridin-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
• PubChem CID: 159579398
• Molecular Formula: C147H142F4N40O9S9
• Molecular Weight: 2977.62 g/mol
• Exact Mass: 2974.93
• IUPAC Name: 2-[(4-tert-butyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2-methoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[[5-pyridin-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
• SMILES: C=Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1.CC(C)(C)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1.CC(c1ccccc1)n1c(SC(F)C(=O)Nc2ccccc2)nnc1-c1ccccn1.CCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1.COCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1.CSCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1.O=C(CSc1nnc(-c2ccccn2)n1C(F)(F)F)Nc1ccccc1.O=C(CSc1nnc(-c2ccccn2)n1C1CC1)Nc1ccccc1
• InChI: InChI=1S/C23H20FN5OS.C19H21N5OS.C18H19N5O2S.C18H19N5OS2.C18H17N5OS.C18H19N5OS.C17H15N5OS.C16H12F3N5OS/c1-16(17-10-4-2-5-11-17)29-21(19-14-8-9-15-25-19)27-28-23(29)31-20(24)22(30)26-18-12-6-3-7-13-18;1-19(2,3)24-17(15-11-7-8-12-20-15)22-23-18(24)26-13-16(25)21-14-9-5-4-6-10-14;2*1-25-12-11-23-17(15-9-5-6-10-19-15)21-22-18(23)26-13-16(24)20-14-7-3-2-4-8-14;24-16(20-13-6-2-1-3-7-13)12-25-18-22-21-17(23(18)14-9-10-14)15-8-4-5-11-19-15;1-2-12-23-17(15-10-6-7-11-19-15)21-22-18(23)25-13-16(24)20-14-8-4-3-5-9-14;1-2-22-16(14-10-6-7-11-18-14)20-21-17(22)24-12-15(23)19-13-8-4-3-5-9-13;17-16(18,19)24-14(12-8-4-5-9-20-12)22-23-15(24)26-10-13(25)21-11-6-2-1-3-7-11/h2-16,20H,1H3,(H,26,30);4-12H,13H2,1-3H3,(H,21,25);2*2-10H,11-13H2,1H3,(H,20,24);1-8,11,14H,9-10,12H2,(H,20,24);3-11H,2,12-13H2,1H3,(H,20,24);2-11H,1,12H2,(H,19,23);1-9H,10H2,(H,21,25)
• InChIKey: MIUYPCDTMSQKGA-UHFFFAOYSA-N
• XLogP: 28.56
• TPSA: 590.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 50
• Rotatable Bonds: 52
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2977.62
LogP ≤ 5	28.56
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2-methoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[[5-pyridin-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The IUPAC name of 2-[(4-tert-butyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2-methoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[[5-pyridin-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 159579398) is 2-[(4-tert-butyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2-methoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[[5-pyridin-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

What is the SMILES notation for 2-[(4-tert-butyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2-methoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[[5-pyridin-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The canonical SMILES for 2-[(4-tert-butyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2-methoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[[5-pyridin-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is C=Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1.CC(C)(C)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1.CC(c1ccccc1)n1c(SC(F)C(=O)Nc2ccccc2)nnc1-c1ccccn1.CCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1.COCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1.CSCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1.O=C(CSc1nnc(-c2ccccn2)n1C(F)(F)F)Nc1ccccc1.O=C(CSc1nnc(-c2ccccn2)n1C1CC1)Nc1ccccc1.

What is the InChIKey of 2-[(4-tert-butyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2-methoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[[5-pyridin-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The InChIKey is MIUYPCDTMSQKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5OS.C19H21N5OS.C18H19N5O2S.C18H19N5OS2.C18H17N5OS.C18H19N5OS.C17H15N5OS.C16H12F3N5OS/c1-16(17-10-4-2-5-11-17)29-21(19-14-8-9-15-25-19)27-28-23(29)31-20(24)22(30)26-18-12-6-3-7-13-18;1-19(2,3)24-17(15-11-7-8-12-20-15)22-23-18(24)26-13-16(25)21-14-9-5-4-6-10-14;2*1-25-12-11-23-17(15-9-5-6-10-19-15)21-22-18(23)26-13-16(24)20-14-7-3-2-4-8-14;24-16(20-13-6-2-1-3-7-13)12-25-18-22-21-17(23(18)14-9-10-14)15-8-4-5-11-19-15;1-2-12-23-17(15-10-6-7-11-19-15)21-22-18(23)25-13-16(24)20-14-8-4-3-5-9-14;1-2-22-16(14-10-6-7-11-18-14)20-21-17(22)24-12-15(23)19-13-8-4-3-5-9-13;17-16(18,19)24-14(12-8-4-5-9-20-12)22-23-15(24)26-10-13(25)21-11-6-2-1-3-7-11/h2-16,20H,1H3,(H,26,30);4-12H,13H2,1-3H3,(H,21,25);2*2-10H,11-13H2,1H3,(H,20,24);1-8,11,14H,9-10,12H2,(H,20,24);3-11H,2,12-13H2,1H3,(H,20,24);2-11H,1,12H2,(H,19,23);1-9H,10H2,(H,21,25).

What are the key properties of 2-[(4-tert-butyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2-methoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[[5-pyridin-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

2-[(4-tert-butyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2-methoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[[5-pyridin-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 2977.62 g/mol, XLogP of 28.56, 52 rotatable bonds, 8 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-tert-butyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;2-[[4-(2-methoxyethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[[5-pyridin-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 159579398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).