2-cyclopropyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpent-4-enamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;2-[[4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C167H157F3N32O10S9 — CID 160765355

About 2-cyclopropyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpent-4-enamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;2-[[4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

2-cyclopropyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpent-4-enamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;2-[[4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 160765355) has the molecular formula C167H157F3N32O10S9 and a molecular weight of 3117.90 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpent-4-enamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;2-[[4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpent-4-enamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;2-[[4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
• PubChem CID: 160765355
• Molecular Formula: C167H157F3N32O10S9
• Molecular Weight: 3117.90 g/mol
• Exact Mass: 3115.02
• IUPAC Name: 2-cyclopropyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpent-4-enamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;2-[[4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
• SMILES: C=CCC(Sc1nnc(-c2ccccc2)n1CC)C(=O)Nc1ccccc1.C=Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CCn1c(SC(C(=O)Nc2ccccc2)C2CC2)nnc1-c1ccccc1.CCn1c(SC(C)C(=O)Nc2ccccc2)nnc1-c1ccccc1.Cc1ccc(S(=O)(=O)n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)cc1.O=C(CSc1nnc(-c2ccccc2)n1C(F)(F)c1ccccc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccc2)n1Cc1ccc(F)cc1)Nc1ccccc1
• InChI: InChI=1S/C23H18F2N4OS.C23H19FN4OS.C23H20N4O3S2.2C21H22N4OS.2C19H20N4OS.C18H16N4OS/c24-23(25,18-12-6-2-7-13-18)29-21(17-10-4-1-5-11-17)27-28-22(29)31-16-20(30)26-19-14-8-3-9-15-19;24-19-13-11-17(12-14-19)15-28-22(18-7-3-1-4-8-18)26-27-23(28)30-16-21(29)25-20-9-5-2-6-10-20;1-17-12-14-20(15-13-17)32(29,30)27-22(18-8-4-2-5-9-18)25-26-23(27)31-16-21(28)24-19-10-6-3-7-11-19;1-2-25-19(16-9-5-3-6-10-16)23-24-21(25)27-18(15-13-14-15)20(26)22-17-11-7-4-8-12-17;1-3-11-18(20(26)22-17-14-9-6-10-15-17)27-21-24-23-19(25(21)4-2)16-12-7-5-8-13-16;1-3-23-17(15-10-6-4-7-11-15)21-22-19(23)25-14(2)18(24)20-16-12-8-5-9-13-16;1-2-13-23-18(15-9-5-3-6-10-15)21-22-19(23)25-14-17(24)20-16-11-7-4-8-12-16;1-2-22-17(14-9-5-3-6-10-14)20-21-18(22)24-13-16(23)19-15-11-7-4-8-12-15/h1-15H,16H2,(H,26,30);1-14H,15-16H2,(H,25,29);2-15H,16H2,1H3,(H,24,28);3-12,15,18H,2,13-14H2,1H3,(H,22,26);3,5-10,12-15,18H,1,4,11H2,2H3,(H,22,26);4-14H,3H2,1-2H3,(H,20,24);3-12H,2,13-14H2,1H3,(H,20,24);2-12H,1,13H2,(H,19,23)
• InChIKey: RYPQLVJOPPVAHG-UHFFFAOYSA-N
• XLogP: 35.42
• TPSA: 512.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 55
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3117.90
LogP ≤ 5	35.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpent-4-enamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;2-[[4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The IUPAC name of 2-cyclopropyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpent-4-enamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;2-[[4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 160765355) is 2-cyclopropyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpent-4-enamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;2-[[4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

What is the SMILES notation for 2-cyclopropyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpent-4-enamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;2-[[4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The canonical SMILES for 2-cyclopropyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpent-4-enamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;2-[[4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is C=CCC(Sc1nnc(-c2ccccc2)n1CC)C(=O)Nc1ccccc1.C=Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CCn1c(SC(C(=O)Nc2ccccc2)C2CC2)nnc1-c1ccccc1.CCn1c(SC(C)C(=O)Nc2ccccc2)nnc1-c1ccccc1.Cc1ccc(S(=O)(=O)n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)cc1.O=C(CSc1nnc(-c2ccccc2)n1C(F)(F)c1ccccc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccc2)n1Cc1ccc(F)cc1)Nc1ccccc1.

What is the InChIKey of 2-cyclopropyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpent-4-enamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;2-[[4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The InChIKey is RYPQLVJOPPVAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4OS.C23H19FN4OS.C23H20N4O3S2.2C21H22N4OS.2C19H20N4OS.C18H16N4OS/c24-23(25,18-12-6-2-7-13-18)29-21(17-10-4-1-5-11-17)27-28-22(29)31-16-20(30)26-19-14-8-3-9-15-19;24-19-13-11-17(12-14-19)15-28-22(18-7-3-1-4-8-18)26-27-23(28)30-16-21(29)25-20-9-5-2-6-10-20;1-17-12-14-20(15-13-17)32(29,30)27-22(18-8-4-2-5-9-18)25-26-23(27)31-16-21(28)24-19-10-6-3-7-11-19;1-2-25-19(16-9-5-3-6-10-16)23-24-21(25)27-18(15-13-14-15)20(26)22-17-11-7-4-8-12-17;1-3-11-18(20(26)22-17-14-9-6-10-15-17)27-21-24-23-19(25(21)4-2)16-12-7-5-8-13-16;1-3-23-17(15-10-6-4-7-11-15)21-22-19(23)25-14(2)18(24)20-16-12-8-5-9-13-16;1-2-13-23-18(15-9-5-3-6-10-15)21-22-19(23)25-14-17(24)20-16-11-7-4-8-12-16;1-2-22-17(14-9-5-3-6-10-14)20-21-18(22)24-13-16(23)19-15-11-7-4-8-12-15/h1-15H,16H2,(H,26,30);1-14H,15-16H2,(H,25,29);2-15H,16H2,1H3,(H,24,28);3-12,15,18H,2,13-14H2,1H3,(H,22,26);3,5-10,12-15,18H,1,4,11H2,2H3,(H,22,26);4-14H,3H2,1-2H3,(H,20,24);3-12H,2,13-14H2,1H3,(H,20,24);2-12H,1,13H2,(H,19,23).

What are the key properties of 2-cyclopropyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpent-4-enamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;2-[[4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

2-cyclopropyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpent-4-enamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;2-[[4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 3117.90 g/mol, XLogP of 35.42, 55 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpent-4-enamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;2-[[4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(4-methylphenyl)sulfonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 160765355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).