N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyano-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylthiophene-3-carboxamide

C126H110ClFN20O19S2 — CID 167576582

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyano-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylthiophene-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyano-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylthiophene-3-carboxamide (PubChem CID 167576582) has the molecular formula C126H110ClFN20O19S2 and a molecular weight of 2326.97 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyano-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylthiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyano-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylthiophene-3-carboxamide
• PubChem CID: 167576582
• Molecular Formula: C126H110ClFN20O19S2
• Molecular Weight: 2326.97 g/mol
• Exact Mass: 2324.74
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyano-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylthiophene-3-carboxamide
• SMILES: Cc1nc(-c2ccccc2F)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cn1cnc(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cn1cnc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccccc1.N#Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccccc2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cc(Cl)sc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccsc1-c1ccccc1
• InChI: InChI=1S/C21H17ClN2O3S.C21H18FN3O4.C21H17N5O3.2C21H20N4O3.C21H18N2O3S/c22-17-12-15(19(28-17)14-9-5-2-6-10-14)21(27)24-16(18(25)20(23)26)11-13-7-3-1-4-8-13;1-12-24-17(14-9-5-6-10-15(14)22)19(29-12)21(28)25-16(18(26)20(23)27)11-13-7-3-2-4-8-13;22-13-15-12-18(26(25-15)16-9-5-2-6-10-16)21(29)24-17(19(27)20(23)28)11-14-7-3-1-4-8-14;1-25-13-23-17(18(25)15-10-6-3-7-11-15)21(28)24-16(19(26)20(22)27)12-14-8-4-2-5-9-14;1-25-13-23-17(15-10-6-3-7-11-15)18(25)21(28)24-16(19(26)20(22)27)12-14-8-4-2-5-9-14;22-20(25)18(24)17(13-14-7-3-1-4-8-14)23-21(26)16-11-12-27-19(16)15-9-5-2-6-10-15/h1-10,12,16H,11H2,(H2,23,26)(H,24,27);2-10,16H,11H2,1H3,(H2,23,27)(H,25,28);1-10,12,17H,11H2,(H2,23,28)(H,24,29);2*2-11,13,16H,12H2,1H3,(H2,22,27)(H,24,28);1-12,17H,13H2,(H2,22,25)(H,23,26)
• InChIKey: GPRTXFAGNSDTNA-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 638.84 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 42
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2326.97
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyano-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylthiophene-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyano-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylthiophene-3-carboxamide (CID 167576582) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyano-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylthiophene-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyano-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylthiophene-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyano-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylthiophene-3-carboxamide is Cc1nc(-c2ccccc2F)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cn1cnc(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cn1cnc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccccc1.N#Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccccc2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cc(Cl)sc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccsc1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyano-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylthiophene-3-carboxamide?

The InChIKey is GPRTXFAGNSDTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3S.C21H18FN3O4.C21H17N5O3.2C21H20N4O3.C21H18N2O3S/c22-17-12-15(19(28-17)14-9-5-2-6-10-14)21(27)24-16(18(25)20(23)26)11-13-7-3-1-4-8-13;1-12-24-17(14-9-5-6-10-15(14)22)19(29-12)21(28)25-16(18(26)20(23)27)11-13-7-3-2-4-8-13;22-13-15-12-18(26(25-15)16-9-5-2-6-10-16)21(29)24-17(19(27)20(23)28)11-14-7-3-1-4-8-14;1-25-13-23-17(18(25)15-10-6-3-7-11-15)21(28)24-16(19(26)20(22)27)12-14-8-4-2-5-9-14;1-25-13-23-17(15-10-6-3-7-11-15)18(25)21(28)24-16(19(26)20(22)27)12-14-8-4-2-5-9-14;22-20(25)18(24)17(13-14-7-3-1-4-8-14)23-21(26)16-11-12-27-19(16)15-9-5-2-6-10-15/h1-10,12,16H,11H2,(H2,23,26)(H,24,27);2-10,16H,11H2,1H3,(H2,23,27)(H,25,28);1-10,12,17H,11H2,(H2,23,28)(H,24,29);2*2-11,13,16H,12H2,1H3,(H2,22,27)(H,24,28);1-12,17H,13H2,(H2,22,25)(H,23,26).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyano-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylthiophene-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyano-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylthiophene-3-carboxamide has a molecular weight of 2326.97 g/mol, XLogP of 12.56, 42 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyano-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylthiophene-3-carboxamide is sourced from PubChem (CID 167576582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).