N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1H-benzimidazol-2-yl)-5-methylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-yl-5-methylthiophene-3-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-6,6,6-trifluoro-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(5-amino-1,1,1-trifluoro-4,5-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide

C123H113F6N25O19S2 — CID 159309288

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1H-benzimidazol-2-yl)-5-methylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-yl-5-methylthiophene-3-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-6,6,6-trifluoro-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(5-amino-1,1,1-trifluoro-4,5-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1H-benzimidazol-2-yl)-5-methylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-yl-5-methylthiophene-3-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-6,6,6-trifluoro-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(5-amino-1,1,1-trifluoro-4,5-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide (PubChem CID 159309288) has the molecular formula C123H113F6N25O19S2 and a molecular weight of 2423.53 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1H-benzimidazol-2-yl)-5-methylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-yl-5-methylthiophene-3-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-6,6,6-trifluoro-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(5-amino-1,1,1-trifluoro-4,5-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1H-benzimidazol-2-yl)-5-methylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-yl-5-methylthiophene-3-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-6,6,6-trifluoro-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(5-amino-1,1,1-trifluoro-4,5-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide
• PubChem CID: 159309288
• Molecular Formula: C123H113F6N25O19S2
• Molecular Weight: 2423.53 g/mol
• Exact Mass: 2421.80
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1H-benzimidazol-2-yl)-5-methylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-yl-5-methylthiophene-3-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-6,6,6-trifluoro-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(5-amino-1,1,1-trifluoro-4,5-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide
• SMILES: Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2nc3ccccc3[nH]2)s1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-n2cc3ccccc3n2)s1.Cn1cc(C(=O)NC(CC(F)(F)F)C(=O)C(N)=O)c(-c2ccccc2)n1.Cn1cc(C(=O)NC(CCC(F)(F)F)C(=O)C(N)=O)c(-c2ccccc2)n1.Cn1cc(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)C(N)=O)c(-c2ccccc2)n1.Cn1cc(C(=O)NC(Cc2ccc(O)cc2)C(=O)C(N)=O)c(-c2ccccc2)n1
• InChI: InChI=1S/C23H21N5O3.2C23H20N4O3S.C21H20N4O4.C17H17F3N4O3.C16H15F3N4O3/c1-28-13-17(20(27-28)14-7-3-2-4-8-14)23(31)26-19(21(29)22(24)30)11-15-12-25-18-10-6-5-9-16(15)18;1-14-11-17(23(31-14)27-13-16-9-5-6-10-18(16)26-27)22(30)25-19(20(28)21(24)29)12-15-7-3-2-4-8-15;1-13-11-15(20(31-13)22-25-16-9-5-6-10-17(16)26-22)23(30)27-18(19(28)21(24)29)12-14-7-3-2-4-8-14;1-25-12-16(18(24-25)14-5-3-2-4-6-14)21(29)23-17(19(27)20(22)28)11-13-7-9-15(26)10-8-13;1-24-9-11(13(23-24)10-5-3-2-4-6-10)16(27)22-12(14(25)15(21)26)7-8-17(18,19)20;1-23-8-10(12(22-23)9-5-3-2-4-6-9)15(26)21-11(7-16(17,18)19)13(24)14(20)25/h2-10,12-13,19,25H,11H2,1H3,(H2,24,30)(H,26,31);2-11,13,19H,12H2,1H3,(H2,24,29)(H,25,30);2-11,18H,12H2,1H3,(H2,24,29)(H,25,26)(H,27,30);2-10,12,17,26H,11H2,1H3,(H2,22,28)(H,23,29);2-6,9,12H,7-8H2,1H3,(H2,21,26)(H,22,27);2-6,8,11H,7H2,1H3,(H2,20,25)(H,21,26)
• InChIKey: LCIDTNXVMNJYBQ-UHFFFAOYSA-N
• XLogP: 11.71
• TPSA: 689.36 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 32
• Rotatable Bonds: 41
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2423.53
LogP ≤ 5	11.71
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	32

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)-2-(1H-benzimidazol-2-yl)-5-methylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-yl-5-methylthiophene-3-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-6,6,6-trifluoro-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(5-amino-1,1,1-trifluoro-4,5-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1H-benzimidazol-2-yl)-5-methylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-yl-5-methylthiophene-3-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-6,6,6-trifluoro-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(5-amino-1,1,1-trifluoro-4,5-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide (CID 159309288) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1H-benzimidazol-2-yl)-5-methylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-yl-5-methylthiophene-3-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-6,6,6-trifluoro-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(5-amino-1,1,1-trifluoro-4,5-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1H-benzimidazol-2-yl)-5-methylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-yl-5-methylthiophene-3-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-6,6,6-trifluoro-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(5-amino-1,1,1-trifluoro-4,5-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1H-benzimidazol-2-yl)-5-methylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-yl-5-methylthiophene-3-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-6,6,6-trifluoro-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(5-amino-1,1,1-trifluoro-4,5-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2nc3ccccc3[nH]2)s1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-n2cc3ccccc3n2)s1.Cn1cc(C(=O)NC(CC(F)(F)F)C(=O)C(N)=O)c(-c2ccccc2)n1.Cn1cc(C(=O)NC(CCC(F)(F)F)C(=O)C(N)=O)c(-c2ccccc2)n1.Cn1cc(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)C(N)=O)c(-c2ccccc2)n1.Cn1cc(C(=O)NC(Cc2ccc(O)cc2)C(=O)C(N)=O)c(-c2ccccc2)n1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1H-benzimidazol-2-yl)-5-methylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-yl-5-methylthiophene-3-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-6,6,6-trifluoro-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(5-amino-1,1,1-trifluoro-4,5-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide?

The InChIKey is LCIDTNXVMNJYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3.2C23H20N4O3S.C21H20N4O4.C17H17F3N4O3.C16H15F3N4O3/c1-28-13-17(20(27-28)14-7-3-2-4-8-14)23(31)26-19(21(29)22(24)30)11-15-12-25-18-10-6-5-9-16(15)18;1-14-11-17(23(31-14)27-13-16-9-5-6-10-18(16)26-27)22(30)25-19(20(28)21(24)29)12-15-7-3-2-4-8-15;1-13-11-15(20(31-13)22-25-16-9-5-6-10-17(16)26-22)23(30)27-18(19(28)21(24)29)12-14-7-3-2-4-8-14;1-25-12-16(18(24-25)14-5-3-2-4-6-14)21(29)23-17(19(27)20(22)28)11-13-7-9-15(26)10-8-13;1-24-9-11(13(23-24)10-5-3-2-4-6-10)16(27)22-12(14(25)15(21)26)7-8-17(18,19)20;1-23-8-10(12(22-23)9-5-3-2-4-6-9)15(26)21-11(7-16(17,18)19)13(24)14(20)25/h2-10,12-13,19,25H,11H2,1H3,(H2,24,30)(H,26,31);2-11,13,19H,12H2,1H3,(H2,24,29)(H,25,30);2-11,18H,12H2,1H3,(H2,24,29)(H,25,26)(H,27,30);2-10,12,17,26H,11H2,1H3,(H2,22,28)(H,23,29);2-6,9,12H,7-8H2,1H3,(H2,21,26)(H,22,27);2-6,8,11H,7H2,1H3,(H2,20,25)(H,21,26).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1H-benzimidazol-2-yl)-5-methylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-yl-5-methylthiophene-3-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-6,6,6-trifluoro-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(5-amino-1,1,1-trifluoro-4,5-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1H-benzimidazol-2-yl)-5-methylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-yl-5-methylthiophene-3-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-6,6,6-trifluoro-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(5-amino-1,1,1-trifluoro-4,5-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide has a molecular weight of 2423.53 g/mol, XLogP of 11.71, 41 rotatable bonds, 15 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1H-benzimidazol-2-yl)-5-methylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-indazol-2-yl-5-methylthiophene-3-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-6,6,6-trifluoro-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(5-amino-1,1,1-trifluoro-4,5-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 159309288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).