N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-4-phenylfuran-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide

C109H101FN18O16S2 — CID 165089565

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-4-phenylfuran-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-4-phenylfuran-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 165089565) has the molecular formula C109H101FN18O16S2 and a molecular weight of 2002.25 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-4-phenylfuran-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-4-phenylfuran-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide
• PubChem CID: 165089565
• Molecular Formula: C109H101FN18O16S2
• Molecular Weight: 2002.25 g/mol
• Exact Mass: 2000.71
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-4-phenylfuran-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide
• SMILES: Cc1occ(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccccc1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)c(-c2ccccc2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc(F)cc2)n1.NC(=O)C(=O)C(CCc1ccccc1)NC(=O)c1nsnc1-c1ccccc1.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccc1
• InChI: InChI=1S/C24H24N4O3.C22H20N4O3S.C22H20N2O4.C21H19FN4O3.C20H18N4O3S/c1-28-15-19(21(27-28)17-10-6-3-7-11-17)23(30)26-20(14-16-8-4-2-5-9-16)22(29)24(31)25-18-12-13-18;27-20(22(29)23-16-11-12-16)17(13-14-7-3-1-4-8-14)24-21(28)19-18(25-30-26-19)15-9-5-2-6-10-15;1-14-19(16-10-6-3-7-11-16)17(13-28-14)22(27)24-18(20(25)21(23)26)12-15-8-4-2-5-9-15;1-26-12-16(18(25-26)14-7-9-15(22)10-8-14)21(29)24-17(19(27)20(23)28)11-13-5-3-2-4-6-13;21-19(26)18(25)15(12-11-13-7-3-1-4-8-13)22-20(27)17-16(23-28-24-17)14-9-5-2-6-10-14/h2-11,15,18,20H,12-14H2,1H3,(H,25,31)(H,26,30);1-10,16-17H,11-13H2,(H,23,29)(H,24,28);2-11,13,18H,12H2,1H3,(H2,23,26)(H,24,27);2-10,12,17H,11H2,1H3,(H2,23,28)(H,24,29);1-10,15H,11-12H2,(H2,21,26)(H,22,27)
• InChIKey: WLYLOAFWDJRCDH-UHFFFAOYSA-N
• XLogP: 10.93
• TPSA: 518.66 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 38
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2002.25
LogP ≤ 5	10.93
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

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)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-4-phenylfuran-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-4-phenylfuran-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide (CID 165089565) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-4-phenylfuran-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-4-phenylfuran-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-4-phenylfuran-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide is Cc1occ(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccccc1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)c(-c2ccccc2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc(F)cc2)n1.NC(=O)C(=O)C(CCc1ccccc1)NC(=O)c1nsnc1-c1ccccc1.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-4-phenylfuran-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

The InChIKey is WLYLOAFWDJRCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3.C22H20N4O3S.C22H20N2O4.C21H19FN4O3.C20H18N4O3S/c1-28-15-19(21(27-28)17-10-6-3-7-11-17)23(30)26-20(14-16-8-4-2-5-9-16)22(29)24(31)25-18-12-13-18;27-20(22(29)23-16-11-12-16)17(13-14-7-3-1-4-8-14)24-21(28)19-18(25-30-26-19)15-9-5-2-6-10-15;1-14-19(16-10-6-3-7-11-16)17(13-28-14)22(27)24-18(20(25)21(23)26)12-15-8-4-2-5-9-15;1-26-12-16(18(25-26)14-7-9-15(22)10-8-14)21(29)24-17(19(27)20(23)28)11-13-5-3-2-4-6-13;21-19(26)18(25)15(12-11-13-7-3-1-4-8-13)22-20(27)17-16(23-28-24-17)14-9-5-2-6-10-14/h2-11,15,18,20H,12-14H2,1H3,(H,25,31)(H,26,30);1-10,16-17H,11-13H2,(H,23,29)(H,24,28);2-11,13,18H,12H2,1H3,(H2,23,26)(H,24,27);2-10,12,17H,11H2,1H3,(H2,23,28)(H,24,29);1-10,15H,11-12H2,(H2,21,26)(H,22,27).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-4-phenylfuran-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-4-phenylfuran-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 2002.25 g/mol, XLogP of 10.93, 38 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-4-phenylfuran-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 165089565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).