N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenylthiadiazole-5-carboxamide;N-[4-amino-1-(4-methoxyphenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]imidazole-4-carboxamide

C124H117N23O21S2 — CID 159262728

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenylthiadiazole-5-carboxamide;N-[4-amino-1-(4-methoxyphenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]imidazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenylthiadiazole-5-carboxamide;N-[4-amino-1-(4-methoxyphenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]imidazole-4-carboxamide (PubChem CID 159262728) has the molecular formula C124H117N23O21S2 and a molecular weight of 2329.57 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenylthiadiazole-5-carboxamide;N-[4-amino-1-(4-methoxyphenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenylthiadiazole-5-carboxamide;N-[4-amino-1-(4-methoxyphenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]imidazole-4-carboxamide
• PubChem CID: 159262728
• Molecular Formula: C124H117N23O21S2
• Molecular Weight: 2329.57 g/mol
• Exact Mass: 2327.82
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenylthiadiazole-5-carboxamide;N-[4-amino-1-(4-methoxyphenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]imidazole-4-carboxamide
• SMILES: COc1ccc(CC(NC(=O)c2c(C)noc2-c2ccccc2)C(=O)C(N)=O)cc1.Cc1noc(-c2ccccc2)c1C(=O)NC(CC(C)C)C(=O)C(N)=O.Cn1ncc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1[nH]cnc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1snnc1-c1ccccc1.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1cncn1-c1nc2ccccc2s1
• InChI: InChI=1S/C24H21N5O3S.C22H21N3O5.C21H20N4O3.C20H18N4O3.C19H16N4O3S.C18H21N3O4/c30-21(23(32)26-16-10-11-16)18(12-15-6-2-1-3-7-15)27-22(31)19-13-25-14-29(19)24-28-17-8-4-5-9-20(17)33-24;1-13-18(20(30-25-13)15-6-4-3-5-7-15)22(28)24-17(19(26)21(23)27)12-14-8-10-16(29-2)11-9-14;1-25-18(15-10-6-3-7-11-15)16(13-23-25)21(28)24-17(19(26)20(22)27)12-14-8-4-2-5-9-14;21-19(26)18(25)15(11-13-7-3-1-4-8-13)24-20(27)17-16(22-12-23-17)14-9-5-2-6-10-14;20-18(25)16(24)14(11-12-7-3-1-4-8-12)21-19(26)17-15(22-23-27-17)13-9-5-2-6-10-13;1-10(2)9-13(15(22)17(19)23)20-18(24)14-11(3)21-25-16(14)12-7-5-4-6-8-12/h1-9,13-14,16,18H,10-12H2,(H,26,32)(H,27,31);3-11,17H,12H2,1-2H3,(H2,23,27)(H,24,28);2-11,13,17H,12H2,1H3,(H2,22,27)(H,24,28);1-10,12,15H,11H2,(H2,21,26)(H,22,23)(H,24,27);1-10,14H,11H2,(H2,20,25)(H,21,26);4-8,10,13H,9H2,1-3H3,(H2,19,23)(H,20,24)
• InChIKey: KWSDSGZYMUSZQL-UHFFFAOYSA-N
• XLogP: 11.13
• TPSA: 685.85 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 33
• Rotatable Bonds: 44
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2329.57
LogP ≤ 5	11.13
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	33

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)-1-methyl-5-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenylthiadiazole-5-carboxamide;N-[4-amino-1-(4-methoxyphenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]imidazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenylthiadiazole-5-carboxamide;N-[4-amino-1-(4-methoxyphenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]imidazole-4-carboxamide (CID 159262728) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenylthiadiazole-5-carboxamide;N-[4-amino-1-(4-methoxyphenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]imidazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenylthiadiazole-5-carboxamide;N-[4-amino-1-(4-methoxyphenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]imidazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenylthiadiazole-5-carboxamide;N-[4-amino-1-(4-methoxyphenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]imidazole-4-carboxamide is COc1ccc(CC(NC(=O)c2c(C)noc2-c2ccccc2)C(=O)C(N)=O)cc1.Cc1noc(-c2ccccc2)c1C(=O)NC(CC(C)C)C(=O)C(N)=O.Cn1ncc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1[nH]cnc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1snnc1-c1ccccc1.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1cncn1-c1nc2ccccc2s1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenylthiadiazole-5-carboxamide;N-[4-amino-1-(4-methoxyphenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]imidazole-4-carboxamide?

The InChIKey is KWSDSGZYMUSZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S.C22H21N3O5.C21H20N4O3.C20H18N4O3.C19H16N4O3S.C18H21N3O4/c30-21(23(32)26-16-10-11-16)18(12-15-6-2-1-3-7-15)27-22(31)19-13-25-14-29(19)24-28-17-8-4-5-9-20(17)33-24;1-13-18(20(30-25-13)15-6-4-3-5-7-15)22(28)24-17(19(26)21(23)27)12-14-8-10-16(29-2)11-9-14;1-25-18(15-10-6-3-7-11-15)16(13-23-25)21(28)24-17(19(26)20(22)27)12-14-8-4-2-5-9-14;21-19(26)18(25)15(11-13-7-3-1-4-8-13)24-20(27)17-16(22-12-23-17)14-9-5-2-6-10-14;20-18(25)16(24)14(11-12-7-3-1-4-8-12)21-19(26)17-15(22-23-27-17)13-9-5-2-6-10-13;1-10(2)9-13(15(22)17(19)23)20-18(24)14-11(3)21-25-16(14)12-7-5-4-6-8-12/h1-9,13-14,16,18H,10-12H2,(H,26,32)(H,27,31);3-11,17H,12H2,1-2H3,(H2,23,27)(H,24,28);2-11,13,17H,12H2,1H3,(H2,22,27)(H,24,28);1-10,12,15H,11H2,(H2,21,26)(H,22,23)(H,24,27);1-10,14H,11H2,(H2,20,25)(H,21,26);4-8,10,13H,9H2,1-3H3,(H2,19,23)(H,20,24).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenylthiadiazole-5-carboxamide;N-[4-amino-1-(4-methoxyphenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]imidazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenylthiadiazole-5-carboxamide;N-[4-amino-1-(4-methoxyphenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]imidazole-4-carboxamide has a molecular weight of 2329.57 g/mol, XLogP of 11.13, 44 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenylthiadiazole-5-carboxamide;N-[4-amino-1-(4-methoxyphenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 159262728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).