2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[1-[4-(dimethylamino)phenyl]ethyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C184H173F4N33O9S8 — CID 158291760

About 2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[1-[4-(dimethylamino)phenyl]ethyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[1-[4-(dimethylamino)phenyl]ethyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 158291760) has the molecular formula C184H173F4N33O9S8 and a molecular weight of 3323.16 g/mol. Its IUPAC name is 2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[1-[4-(dimethylamino)phenyl]ethyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: 2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[1-[4-(dimethylamino)phenyl]ethyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
• PubChem CID: 158291760
• Molecular Formula: C184H173F4N33O9S8
• Molecular Weight: 3323.16 g/mol
• Exact Mass: 3320.18
• IUPAC Name: 2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[1-[4-(dimethylamino)phenyl]ethyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
• SMILES: CC(C)(C)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CC(C)(Sc1nnc(-c2ccccc2)n1Cc1ccccc1)C(=O)Nc1ccccc1.CC(Sc1nnc(-c2ccccc2)n1C(C)c1ccccc1)C(=O)Nc1ccccc1.CC(c1ccc(N(C)C)cc1)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CC(c1ccccc1)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.COc1ccc(Cn2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)cc1.O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccc2)n1C(F)(F)F)Nc1ccccc1
• InChI: InChI=1S/C26H27N5OS.2C25H24N4OS.C24H22N4O2S.C24H22N4OS.C23H19FN4OS.C20H22N4OS.C17H13F3N4OS/c1-19(20-14-16-23(17-15-20)30(2)3)31-25(21-10-6-4-7-11-21)28-29-26(31)33-18-24(32)27-22-12-8-5-9-13-22;1-25(2,23(30)26-21-16-10-5-11-17-21)31-24-28-27-22(20-14-8-4-9-15-20)29(24)18-19-12-6-3-7-13-19;1-18(20-12-6-3-7-13-20)29-23(21-14-8-4-9-15-21)27-28-25(29)31-19(2)24(30)26-22-16-10-5-11-17-22;1-30-21-14-12-18(13-15-21)16-28-23(19-8-4-2-5-9-19)26-27-24(28)31-17-22(29)25-20-10-6-3-7-11-20;1-18(19-11-5-2-6-12-19)28-23(20-13-7-3-8-14-20)26-27-24(28)30-17-22(29)25-21-15-9-4-10-16-21;24-19-13-11-18(12-14-19)22-26-27-23(28(22)15-17-7-3-1-4-8-17)30-16-21(29)25-20-9-5-2-6-10-20;1-20(2,3)24-18(15-10-6-4-7-11-15)22-23-19(24)26-14-17(25)21-16-12-8-5-9-13-16;18-17(19,20)24-15(12-7-3-1-4-8-12)22-23-16(24)26-11-14(25)21-13-9-5-2-6-10-13/h4-17,19H,18H2,1-3H3,(H,27,32);3-17H,18H2,1-2H3,(H,26,30);3-19H,1-2H3,(H,26,30);2-15H,16-17H2,1H3,(H,25,29);2-16,18H,17H2,1H3,(H,25,29);1-14H,15-16H2,(H,25,29);4-13H,14H2,1-3H3,(H,21,25);1-10H,11H2,(H,21,25)
• InChIKey: GLLBNBAPAYOYNL-UHFFFAOYSA-N
• XLogP: 39.99
• TPSA: 490.95 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 54
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3323.16
LogP ≤ 5	39.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[1-[4-(dimethylamino)phenyl]ethyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The IUPAC name of 2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[1-[4-(dimethylamino)phenyl]ethyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 158291760) is 2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[1-[4-(dimethylamino)phenyl]ethyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

What is the SMILES notation for 2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[1-[4-(dimethylamino)phenyl]ethyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The canonical SMILES for 2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[1-[4-(dimethylamino)phenyl]ethyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is CC(C)(C)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CC(C)(Sc1nnc(-c2ccccc2)n1Cc1ccccc1)C(=O)Nc1ccccc1.CC(Sc1nnc(-c2ccccc2)n1C(C)c1ccccc1)C(=O)Nc1ccccc1.CC(c1ccc(N(C)C)cc1)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CC(c1ccccc1)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.COc1ccc(Cn2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)cc1.O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccc2)n1C(F)(F)F)Nc1ccccc1.

What is the InChIKey of 2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[1-[4-(dimethylamino)phenyl]ethyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The InChIKey is GLLBNBAPAYOYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5OS.2C25H24N4OS.C24H22N4O2S.C24H22N4OS.C23H19FN4OS.C20H22N4OS.C17H13F3N4OS/c1-19(20-14-16-23(17-15-20)30(2)3)31-25(21-10-6-4-7-11-21)28-29-26(31)33-18-24(32)27-22-12-8-5-9-13-22;1-25(2,23(30)26-21-16-10-5-11-17-21)31-24-28-27-22(20-14-8-4-9-15-20)29(24)18-19-12-6-3-7-13-19;1-18(20-12-6-3-7-13-20)29-23(21-14-8-4-9-15-21)27-28-25(29)31-19(2)24(30)26-22-16-10-5-11-17-22;1-30-21-14-12-18(13-15-21)16-28-23(19-8-4-2-5-9-19)26-27-24(28)31-17-22(29)25-20-10-6-3-7-11-20;1-18(19-11-5-2-6-12-19)28-23(20-13-7-3-8-14-20)26-27-24(28)30-17-22(29)25-21-15-9-4-10-16-21;24-19-13-11-18(12-14-19)22-26-27-23(28(22)15-17-7-3-1-4-8-17)30-16-21(29)25-20-9-5-2-6-10-20;1-20(2,3)24-18(15-10-6-4-7-11-15)22-23-19(24)26-14-17(25)21-16-12-8-5-9-13-16;18-17(19,20)24-15(12-7-3-1-4-8-12)22-23-16(24)26-11-14(25)21-13-9-5-2-6-10-13/h4-17,19H,18H2,1-3H3,(H,27,32);3-17H,18H2,1-2H3,(H,26,30);3-19H,1-2H3,(H,26,30);2-15H,16-17H2,1H3,(H,25,29);2-16,18H,17H2,1H3,(H,25,29);1-14H,15-16H2,(H,25,29);4-13H,14H2,1-3H3,(H,21,25);1-10H,11H2,(H,21,25).

What are the key properties of 2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[1-[4-(dimethylamino)phenyl]ethyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[1-[4-(dimethylamino)phenyl]ethyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 3323.16 g/mol, XLogP of 39.99, 54 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-phenylpropanamide;2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[1-[4-(dimethylamino)phenyl]ethyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 158291760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).