2-[[4-benzyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-(furan-3-yl)-5-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-1,2,4-triazole-4-carboxylate;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4H-pyrazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide

C155H169N27O18S7 — CID 160908092

About 2-[[4-benzyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-(furan-3-yl)-5-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-1,2,4-triazole-4-carboxylate;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4H-pyrazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide

2-[[4-benzyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-(furan-3-yl)-5-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-1,2,4-triazole-4-carboxylate;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4H-pyrazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 160908092) has the molecular formula C155H169N27O18S7 and a molecular weight of 2922.70 g/mol. Its IUPAC name is 2-[[4-benzyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-(furan-3-yl)-5-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-1,2,4-triazole-4-carboxylate;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4H-pyrazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[4-benzyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-(furan-3-yl)-5-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-1,2,4-triazole-4-carboxylate;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4H-pyrazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 160908092
• Molecular Formula: C155H169N27O18S7
• Molecular Weight: 2922.70 g/mol
• Exact Mass: 2920.12
• IUPAC Name: 2-[[4-benzyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-(furan-3-yl)-5-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-1,2,4-triazole-4-carboxylate;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4H-pyrazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
• SMILES: CC(C)c1ccc(NC(=O)CSC2=NN=C(c3ccoc3)C2)cc1.CC(Sc1nnc(-c2ccoc2)n1-c1ccccc1)C(=O)Nc1ccc(C(C)C)cc1.CC(Sc1nnc(-c2ccoc2)n1C(=O)OC(C)(C)C)C(=O)Nc1ccc(C(C)C)cc1.CC(Sc1nnc(-c2ccoc2)n1C(C)c1ccccc1)C(=O)Nc1ccc(C(C)C)cc1.CC(Sc1nnc(-c2ccoc2)n1C=O)C(=O)Nc1ccc(C(C)C)cc1.CC(Sc1nnc(-c2ccoc2)n1Cc1ccccc1)C(=O)Nc1ccc(C(C)C)cc1.CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2OC)nnc1-c1ccoc1
• InChI: InChI=1S/C26H28N4O2S.C25H26N4O2S.C24H24N4O2S.C23H28N4O4S.C20H24N4O3S.C19H20N4O3S.C18H19N3O2S/c1-17(2)20-10-12-23(13-11-20)27-25(31)19(4)33-26-29-28-24(22-14-15-32-16-22)30(26)18(3)21-8-6-5-7-9-21;1-17(2)20-9-11-22(12-10-20)26-24(30)18(3)32-25-28-27-23(21-13-14-31-16-21)29(25)15-19-7-5-4-6-8-19;1-16(2)18-9-11-20(12-10-18)25-23(29)17(3)31-24-27-26-22(19-13-14-30-15-19)28(24)21-7-5-4-6-8-21;1-14(2)16-7-9-18(10-8-16)24-20(28)15(3)32-21-26-25-19(17-11-12-30-13-17)27(21)22(29)31-23(4,5)6;1-5-24-19(15-8-9-27-11-15)22-23-20(24)28-12-18(25)21-16-7-6-14(13(2)3)10-17(16)26-4;1-12(2)14-4-6-16(7-5-14)20-18(25)13(3)27-19-22-21-17(23(19)11-24)15-8-9-26-10-15;1-12(2)13-3-5-15(6-4-13)19-17(22)11-24-18-9-16(20-21-18)14-7-8-23-10-14/h5-19H,1-4H3,(H,27,31);4-14,16-18H,15H2,1-3H3,(H,26,30);4-17H,1-3H3,(H,25,29);7-15H,1-6H3,(H,24,28);6-11,13H,5,12H2,1-4H3,(H,21,25);4-13H,1-3H3,(H,20,25);3-8,10,12H,9,11H2,1-2H3,(H,19,22)
• InChIKey: SQKGAFUXJRGIQK-UHFFFAOYSA-N
• XLogP: 36.07
• TPSA: 557.26 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 49
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2922.70
LogP ≤ 5	36.07
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-benzyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-(furan-3-yl)-5-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-1,2,4-triazole-4-carboxylate;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4H-pyrazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-[[4-benzyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-(furan-3-yl)-5-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-1,2,4-triazole-4-carboxylate;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4H-pyrazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide (CID 160908092) is 2-[[4-benzyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-(furan-3-yl)-5-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-1,2,4-triazole-4-carboxylate;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4H-pyrazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-[[4-benzyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-(furan-3-yl)-5-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-1,2,4-triazole-4-carboxylate;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4H-pyrazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-[[4-benzyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-(furan-3-yl)-5-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-1,2,4-triazole-4-carboxylate;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4H-pyrazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CSC2=NN=C(c3ccoc3)C2)cc1.CC(Sc1nnc(-c2ccoc2)n1-c1ccccc1)C(=O)Nc1ccc(C(C)C)cc1.CC(Sc1nnc(-c2ccoc2)n1C(=O)OC(C)(C)C)C(=O)Nc1ccc(C(C)C)cc1.CC(Sc1nnc(-c2ccoc2)n1C(C)c1ccccc1)C(=O)Nc1ccc(C(C)C)cc1.CC(Sc1nnc(-c2ccoc2)n1C=O)C(=O)Nc1ccc(C(C)C)cc1.CC(Sc1nnc(-c2ccoc2)n1Cc1ccccc1)C(=O)Nc1ccc(C(C)C)cc1.CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2OC)nnc1-c1ccoc1.

What is the InChIKey of 2-[[4-benzyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-(furan-3-yl)-5-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-1,2,4-triazole-4-carboxylate;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4H-pyrazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide?

The InChIKey is SQKGAFUXJRGIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S.C25H26N4O2S.C24H24N4O2S.C23H28N4O4S.C20H24N4O3S.C19H20N4O3S.C18H19N3O2S/c1-17(2)20-10-12-23(13-11-20)27-25(31)19(4)33-26-29-28-24(22-14-15-32-16-22)30(26)18(3)21-8-6-5-7-9-21;1-17(2)20-9-11-22(12-10-20)26-24(30)18(3)32-25-28-27-23(21-13-14-31-16-21)29(25)15-19-7-5-4-6-8-19;1-16(2)18-9-11-20(12-10-18)25-23(29)17(3)31-24-27-26-22(19-13-14-30-15-19)28(24)21-7-5-4-6-8-21;1-14(2)16-7-9-18(10-8-16)24-20(28)15(3)32-21-26-25-19(17-11-12-30-13-17)27(21)22(29)31-23(4,5)6;1-5-24-19(15-8-9-27-11-15)22-23-20(24)28-12-18(25)21-16-7-6-14(13(2)3)10-17(16)26-4;1-12(2)14-4-6-16(7-5-14)20-18(25)13(3)27-19-22-21-17(23(19)11-24)15-8-9-26-10-15;1-12(2)13-3-5-15(6-4-13)19-17(22)11-24-18-9-16(20-21-18)14-7-8-23-10-14/h5-19H,1-4H3,(H,27,31);4-14,16-18H,15H2,1-3H3,(H,26,30);4-17H,1-3H3,(H,25,29);7-15H,1-6H3,(H,24,28);6-11,13H,5,12H2,1-4H3,(H,21,25);4-13H,1-3H3,(H,20,25);3-8,10,12H,9,11H2,1-2H3,(H,19,22).

What are the key properties of 2-[[4-benzyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-(furan-3-yl)-5-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-1,2,4-triazole-4-carboxylate;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4H-pyrazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide?

2-[[4-benzyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-(furan-3-yl)-5-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-1,2,4-triazole-4-carboxylate;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4H-pyrazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 2922.70 g/mol, XLogP of 36.07, 49 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-benzyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;tert-butyl 3-(furan-3-yl)-5-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanyl-1,2,4-triazole-4-carboxylate;2-[[4-ethyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-propan-2-ylphenyl)acetamide;2-[[4-formyl-5-(furan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide;2-[[5-(furan-3-yl)-4H-pyrazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 160908092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).