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

C121H126F4N24O7S7 — CID 159092398

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

2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;methane;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 159092398) has the molecular formula C121H126F4N24O7S7 and a molecular weight of 2328.96 g/mol. Its IUPAC name is 2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;methane;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;methane;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
• PubChem CID: 159092398
• Molecular Formula: C121H126F4N24O7S7
• Molecular Weight: 2328.96 g/mol
• Exact Mass: 2326.82
• IUPAC Name: 2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;methane;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
• SMILES: C.C.C.CC(C)(C)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CC(c1ccccc1)n1c(SC(F)C(=O)Nc2ccccc2)nnc1-c1ccccc1.COCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CSCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.O=C(CSc1nnc(-c2ccccc2)n1C(F)(F)F)Nc1ccccc1.O=C(CSc1nnc(-c2ccccc2)n1C1CC1)Nc1ccccc1
• InChI: InChI=1S/C24H21FN4OS.C20H22N4OS.C19H20N4O2S.C19H20N4OS2.C19H18N4OS.C17H13F3N4OS.3CH4/c1-17(18-11-5-2-6-12-18)29-22(19-13-7-3-8-14-19)27-28-24(29)31-21(25)23(30)26-20-15-9-4-10-16-20;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;2*1-25-13-12-23-18(15-8-4-2-5-9-15)21-22-19(23)26-14-17(24)20-16-10-6-3-7-11-16;24-17(20-15-9-5-2-6-10-15)13-25-19-22-21-18(23(19)16-11-12-16)14-7-3-1-4-8-14;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;;;/h2-17,21H,1H3,(H,26,30);4-13H,14H2,1-3H3,(H,21,25);2*2-11H,12-14H2,1H3,(H,20,24);1-10,16H,11-13H2,(H,20,24);1-10H,11H2,(H,21,25);3*1H4
• InChIKey: KCFPDSKGJVJPTI-UHFFFAOYSA-N
• XLogP: 27.44
• TPSA: 368.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 39
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2328.96
LogP ≤ 5	27.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

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

The IUPAC name of 2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;methane;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 159092398) is 2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;methane;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

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

The canonical SMILES for 2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;methane;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is C.C.C.CC(C)(C)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CC(c1ccccc1)n1c(SC(F)C(=O)Nc2ccccc2)nnc1-c1ccccc1.COCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CSCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.O=C(CSc1nnc(-c2ccccc2)n1C(F)(F)F)Nc1ccccc1.O=C(CSc1nnc(-c2ccccc2)n1C1CC1)Nc1ccccc1.

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

The InChIKey is KCFPDSKGJVJPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4OS.C20H22N4OS.C19H20N4O2S.C19H20N4OS2.C19H18N4OS.C17H13F3N4OS.3CH4/c1-17(18-11-5-2-6-12-18)29-22(19-13-7-3-8-14-19)27-28-24(29)31-21(25)23(30)26-20-15-9-4-10-16-20;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;2*1-25-13-12-23-18(15-8-4-2-5-9-15)21-22-19(23)26-14-17(24)20-16-10-6-3-7-11-16;24-17(20-15-9-5-2-6-10-15)13-25-19-22-21-18(23(19)16-11-12-16)14-7-3-1-4-8-14;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;;;/h2-17,21H,1H3,(H,26,30);4-13H,14H2,1-3H3,(H,21,25);2*2-11H,12-14H2,1H3,(H,20,24);1-10,16H,11-13H2,(H,20,24);1-10H,11H2,(H,21,25);3*1H4.

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

2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;methane;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 2328.96 g/mol, XLogP of 27.44, 39 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[[5-phenyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide;methane;2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-phenyl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 159092398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).