N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;3-(3-fluorophenyl)-1-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide;1-methyl-3-(3-methylphenyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide

C140H126F2N26O19S3 — CID 158539573

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;3-(3-fluorophenyl)-1-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide;1-methyl-3-(3-methylphenyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;3-(3-fluorophenyl)-1-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide;1-methyl-3-(3-methylphenyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide (PubChem CID 158539573) has the molecular formula C140H126F2N26O19S3 and a molecular weight of 2610.91 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;3-(3-fluorophenyl)-1-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide;1-methyl-3-(3-methylphenyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;3-(3-fluorophenyl)-1-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide;1-methyl-3-(3-methylphenyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide
• PubChem CID: 158539573
• Molecular Formula: C140H126F2N26O19S3
• Molecular Weight: 2610.91 g/mol
• Exact Mass: 2608.88
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;3-(3-fluorophenyl)-1-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide;1-methyl-3-(3-methylphenyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide
• SMILES: Cc1cccc(-c2nn(C)cc2C(=O)NC(C=O)Cc2ccccc2)c1.Cc1cccc(-c2nsnc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cc1ccccc1-c1nsnc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cn1cc(C(=O)NC(C=O)Cc2ccccc2)c(-c2cccc(F)c2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1ncccn1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccc1F.O=CC(Cc1ccccc1)NC(=O)c1cn(C2CC2)nc1-c1ccccc1
• InChI: InChI=1S/C22H21N3O2.C21H21N3O2.C20H18FN3O2.2C20H18N4O3S.C19H15FN4O3S.C18H15N5O4/c26-15-18(13-16-7-3-1-4-8-16)23-22(27)20-14-25(19-11-12-19)24-21(20)17-9-5-2-6-10-17;1-15-7-6-10-17(11-15)20-19(13-24(2)23-20)21(26)22-18(14-25)12-16-8-4-3-5-9-16;1-24-12-18(19(23-24)15-8-5-9-16(21)11-15)20(26)22-17(13-25)10-14-6-3-2-4-7-14;1-12-7-5-6-10-14(12)16-17(24-28-23-16)20(27)22-15(18(25)19(21)26)11-13-8-3-2-4-9-13;1-12-6-5-9-14(10-12)16-17(24-28-23-16)20(27)22-15(18(25)19(21)26)11-13-7-3-2-4-8-13;20-13-9-5-4-8-12(13)15-16(24-28-23-15)19(27)22-14(17(25)18(21)26)10-11-6-2-1-3-7-11;19-16(25)15(24)13(9-11-5-2-1-3-6-11)22-18(26)12-10-27-23-14(12)17-20-7-4-8-21-17/h1-10,14-15,18-19H,11-13H2,(H,23,27);3-11,13-14,18H,12H2,1-2H3,(H,22,26);2-9,11-13,17H,10H2,1H3,(H,22,26);2*2-10,15H,11H2,1H3,(H2,21,26)(H,22,27);1-9,14H,10H2,(H2,21,26)(H,22,27);1-8,10,13H,9H2,(H2,19,25)(H,22,26)
• InChIKey: HOIUKRIDSCCKAH-UHFFFAOYSA-N
• XLogP: 15.21
• TPSA: 678.16 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 47
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2610.91
LogP ≤ 5	15.21
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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)-4-(2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;3-(3-fluorophenyl)-1-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide;1-methyl-3-(3-methylphenyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;3-(3-fluorophenyl)-1-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide;1-methyl-3-(3-methylphenyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide (CID 158539573) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;3-(3-fluorophenyl)-1-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide;1-methyl-3-(3-methylphenyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;3-(3-fluorophenyl)-1-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide;1-methyl-3-(3-methylphenyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;3-(3-fluorophenyl)-1-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide;1-methyl-3-(3-methylphenyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide is Cc1cccc(-c2nn(C)cc2C(=O)NC(C=O)Cc2ccccc2)c1.Cc1cccc(-c2nsnc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cc1ccccc1-c1nsnc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cn1cc(C(=O)NC(C=O)Cc2ccccc2)c(-c2cccc(F)c2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1ncccn1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccc1F.O=CC(Cc1ccccc1)NC(=O)c1cn(C2CC2)nc1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;3-(3-fluorophenyl)-1-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide;1-methyl-3-(3-methylphenyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide?

The InChIKey is HOIUKRIDSCCKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2.C21H21N3O2.C20H18FN3O2.2C20H18N4O3S.C19H15FN4O3S.C18H15N5O4/c26-15-18(13-16-7-3-1-4-8-16)23-22(27)20-14-25(19-11-12-19)24-21(20)17-9-5-2-6-10-17;1-15-7-6-10-17(11-15)20-19(13-24(2)23-20)21(26)22-18(14-25)12-16-8-4-3-5-9-16;1-24-12-18(19(23-24)15-8-5-9-16(21)11-15)20(26)22-17(13-25)10-14-6-3-2-4-7-14;1-12-7-5-6-10-14(12)16-17(24-28-23-16)20(27)22-15(18(25)19(21)26)11-13-8-3-2-4-9-13;1-12-6-5-9-14(10-12)16-17(24-28-23-16)20(27)22-15(18(25)19(21)26)11-13-7-3-2-4-8-13;20-13-9-5-4-8-12(13)15-16(24-28-23-15)19(27)22-14(17(25)18(21)26)10-11-6-2-1-3-7-11;19-16(25)15(24)13(9-11-5-2-1-3-6-11)22-18(26)12-10-27-23-14(12)17-20-7-4-8-21-17/h1-10,14-15,18-19H,11-13H2,(H,23,27);3-11,13-14,18H,12H2,1-2H3,(H,22,26);2-9,11-13,17H,10H2,1H3,(H,22,26);2*2-10,15H,11H2,1H3,(H2,21,26)(H,22,27);1-9,14H,10H2,(H2,21,26)(H,22,27);1-8,10,13H,9H2,(H2,19,25)(H,22,26).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;3-(3-fluorophenyl)-1-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide;1-methyl-3-(3-methylphenyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;3-(3-fluorophenyl)-1-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide;1-methyl-3-(3-methylphenyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide has a molecular weight of 2610.91 g/mol, XLogP of 15.21, 47 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;3-(3-fluorophenyl)-1-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide;1-methyl-3-(3-methylphenyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 158539573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).