2-[[4-[difluoro(phenyl)methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-(furan-3-yl)-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

C138H128F5N29O15S8 — CID 159872269

About 2-[[4-[difluoro(phenyl)methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-(furan-3-yl)-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

2-[[4-[difluoro(phenyl)methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-(furan-3-yl)-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (PubChem CID 159872269) has the molecular formula C138H128F5N29O15S8 and a molecular weight of 2784.26 g/mol. Its IUPAC name is 2-[[4-[difluoro(phenyl)methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-(furan-3-yl)-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[[4-[difluoro(phenyl)methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-(furan-3-yl)-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
• PubChem CID: 159872269
• Molecular Formula: C138H128F5N29O15S8
• Molecular Weight: 2784.26 g/mol
• Exact Mass: 2781.78
• IUPAC Name: 2-[[4-[difluoro(phenyl)methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-(furan-3-yl)-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
• SMILES: CC(Sc1nnc(-c2ccoc2)n1C(C)c1ccccc1)C(=O)Nc1ccccc1.CC(c1ccccc1)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccoc1.CN(C)c1ccc(Cn2c(SCC(=O)Nc3ccccc3)nnc2-c2ccoc2)cc1.COCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccoc1.CSCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccoc1.O=C(CSc1nnc(-c2ccoc2)n1C(F)(F)F)Nc1ccccc1.O=C(CSc1nnc(-c2ccoc2)n1C(F)(F)c1ccccc1)Nc1ccccc1
• InChI: InChI=1S/C23H23N5O2S.C23H22N4O2S.C22H20N4O2S.C21H16F2N4O2S.C17H18N4O3S.C17H18N4O2S2.C15H11F3N4O2S/c1-27(2)20-10-8-17(9-11-20)14-28-22(18-12-13-30-15-18)25-26-23(28)31-16-21(29)24-19-6-4-3-5-7-19;1-16(18-9-5-3-6-10-18)27-21(19-13-14-29-15-19)25-26-23(27)30-17(2)22(28)24-20-11-7-4-8-12-20;1-16(17-8-4-2-5-9-17)26-21(18-12-13-28-14-18)24-25-22(26)29-15-20(27)23-19-10-6-3-7-11-19;22-21(23,16-7-3-1-4-8-16)27-19(15-11-12-29-13-15)25-26-20(27)30-14-18(28)24-17-9-5-2-6-10-17;1-23-10-8-21-16(13-7-9-24-11-13)19-20-17(21)25-12-15(22)18-14-5-3-2-4-6-14;1-24-10-8-21-16(13-7-9-23-11-13)19-20-17(21)25-12-15(22)18-14-5-3-2-4-6-14;16-15(17,18)22-13(10-6-7-24-8-10)20-21-14(22)25-9-12(23)19-11-4-2-1-3-5-11/h3-13,15H,14,16H2,1-2H3,(H,24,29);3-17H,1-2H3,(H,24,28);2-14,16H,15H2,1H3,(H,23,27);1-13H,14H2,(H,24,28);2*2-7,9,11H,8,10,12H2,1H3,(H,18,22);1-8H,9H2,(H,19,23)
• InChIKey: NSMRYWMJPCZZCV-UHFFFAOYSA-N
• XLogP: 29.69
• TPSA: 523.12 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 50
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2784.26
LogP ≤ 5	29.69
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	45

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-[difluoro(phenyl)methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-(furan-3-yl)-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?

The IUPAC name of 2-[[4-[difluoro(phenyl)methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-(furan-3-yl)-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (CID 159872269) is 2-[[4-[difluoro(phenyl)methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-(furan-3-yl)-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.

What is the SMILES notation for 2-[[4-[difluoro(phenyl)methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-(furan-3-yl)-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?

The canonical SMILES for 2-[[4-[difluoro(phenyl)methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-(furan-3-yl)-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is CC(Sc1nnc(-c2ccoc2)n1C(C)c1ccccc1)C(=O)Nc1ccccc1.CC(c1ccccc1)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccoc1.CN(C)c1ccc(Cn2c(SCC(=O)Nc3ccccc3)nnc2-c2ccoc2)cc1.COCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccoc1.CSCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccoc1.O=C(CSc1nnc(-c2ccoc2)n1C(F)(F)F)Nc1ccccc1.O=C(CSc1nnc(-c2ccoc2)n1C(F)(F)c1ccccc1)Nc1ccccc1.

What is the InChIKey of 2-[[4-[difluoro(phenyl)methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-(furan-3-yl)-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?

The InChIKey is NSMRYWMJPCZZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S.C23H22N4O2S.C22H20N4O2S.C21H16F2N4O2S.C17H18N4O3S.C17H18N4O2S2.C15H11F3N4O2S/c1-27(2)20-10-8-17(9-11-20)14-28-22(18-12-13-30-15-18)25-26-23(28)31-16-21(29)24-19-6-4-3-5-7-19;1-16(18-9-5-3-6-10-18)27-21(19-13-14-29-15-19)25-26-23(27)30-17(2)22(28)24-20-11-7-4-8-12-20;1-16(17-8-4-2-5-9-17)26-21(18-12-13-28-14-18)24-25-22(26)29-15-20(27)23-19-10-6-3-7-11-19;22-21(23,16-7-3-1-4-8-16)27-19(15-11-12-29-13-15)25-26-20(27)30-14-18(28)24-17-9-5-2-6-10-17;1-23-10-8-21-16(13-7-9-24-11-13)19-20-17(21)25-12-15(22)18-14-5-3-2-4-6-14;1-24-10-8-21-16(13-7-9-23-11-13)19-20-17(21)25-12-15(22)18-14-5-3-2-4-6-14;16-15(17,18)22-13(10-6-7-24-8-10)20-21-14(22)25-9-12(23)19-11-4-2-1-3-5-11/h3-13,15H,14,16H2,1-2H3,(H,24,29);3-17H,1-2H3,(H,24,28);2-14,16H,15H2,1H3,(H,23,27);1-13H,14H2,(H,24,28);2*2-7,9,11H,8,10,12H2,1H3,(H,18,22);1-8H,9H2,(H,19,23).

What are the key properties of 2-[[4-[difluoro(phenyl)methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-(furan-3-yl)-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?

2-[[4-[difluoro(phenyl)methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-(furan-3-yl)-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 2784.26 g/mol, XLogP of 29.69, 50 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[difluoro(phenyl)methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-(furan-3-yl)-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 159872269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).