(2R)-1-benzyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide;3-chloro-N-(3,4-dioxo-1-phenylpentan-2-yl)-2-fluoro-6-(trifluoromethyl)benzamide;1-cyclopropyl-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide

C238H215ClF10N30O36S — CID 158199544

IUPAC(2R)-1-benzyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide;3-chloro-N-(3,4-dioxo-1-phenylpentan-2-yl)-2-fluoro-6-(trifluoromethyl)benzamide;1-cyclopropyl-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide
SMILESCC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1c(C(F)(F)F)ccc(Cl)c1F.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cc(C)nn1-c1ncccn1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccccc1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1cccc(F)c1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccccc1F.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C2CC2)nc1-c1ccccc1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1oc(C)nc1-c1cccc(F)c1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1oc(C)nc1-c1ccccc1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1oc(C)nc1-c1ccccc1F.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1.O=CC(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccc1
InChIInChI=1S/C25H27N3O4.C24H23N3O3.C22H19F2N3O3.2C22H20FN3O3.2C22H19FN2O4.C22H20N2O4.C20H19N5O3.C19H14ClF4NO3.C18H15N3O2S/c29-22-14-13-21(28(22)16-18-9-5-2-6-10-18)24(31)27-20(15-17-7-3-1-4-8-17)23(30)25(32)26-19-11-12-19;1-16(28)23(29)21(14-17-8-4-2-5-9-17)25-24(30)20-15-27(19-12-13-19)26-22(20)18-10-6-3-7-11-18;1-14(28)20(29)18(12-15-8-4-2-5-9-15)25-21(30)17-13-27(22(23)24)26-19(17)16-10-6-3-7-11-16;1-14(27)21(28)19(12-15-8-4-3-5-9-15)24-22(29)17-13-26(2)25-20(17)16-10-6-7-11-18(16)23;1-14(27)21(28)19(11-15-7-4-3-5-8-15)24-22(29)18-13-26(2)25-20(18)16-9-6-10-17(23)12-16;1-13(26)20(27)18(12-15-8-4-3-5-9-15)25-22(28)21-19(24-14(2)29-21)16-10-6-7-11-17(16)23;1-13(26)20(27)18(11-15-7-4-3-5-8-15)25-22(28)21-19(24-14(2)29-21)16-9-6-10-17(23)12-16;1-14(25)20(26)18(13-16-9-5-3-6-10-16)24-22(27)21-19(23-15(2)28-21)17-11-7-4-8-12-17;1-13-11-17(25(24-13)20-21-9-6-10-22-20)19(28)23-16(18(27)14(2)26)12-15-7-4-3-5-8-15;1-10(26)17(27)14(9-11-5-3-2-4-6-11)25-18(28)15-12(19(22,23)24)7-8-13(20)16(15)21;22-12-15(11-13-7-3-1-4-8-13)19-18(23)17-16(20-24-21-17)14-9-5-2-6-10-14/h1-10,19-21H,11-16H2,(H,26,32)(H,27,31);2-11,15,19,21H,12-14H2,1H3,(H,25,30);2-11,13,18,22H,12H2,1H3,(H,25,30);3-11,13,19H,12H2,1-2H3,(H,24,29);3-10,12-13,19H,11H2,1-2H3,(H,24,29);3-11,18H,12H2,1-2H3,(H,25,28);3-10,12,18H,11H2,1-2H3,(H,25,28);3-12,18H,13H2,1-2H3,(H,24,27);3-11,16H,12H2,1-2H3,(H,23,28);2-8,14H,9H2,1H3,(H,25,28);1-10,12,15H,11H2,(H,19,23)/t20?,21-;;;;;;;;;;/m1........../s1
InChIKeyGATLLLDNJZEOMS-KYAWJVPPSA-N
MW4329.01 g/mol
LogP31.97
Rot. Bonds79

About (2R)-1-benzyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide;3-chloro-N-(3,4-dioxo-1-phenylpentan-2-yl)-2-fluoro-6-(trifluoromethyl)benzamide;1-cyclopropyl-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide

(2R)-1-benzyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide;3-chloro-N-(3,4-dioxo-1-phenylpentan-2-yl)-2-fluoro-6-(trifluoromethyl)benzamide;1-cyclopropyl-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 158199544) has the molecular formula C238H215ClF10N30O36S and a molecular weight of 4329.01 g/mol. Its IUPAC name is (2R)-1-benzyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide;3-chloro-N-(3,4-dioxo-1-phenylpentan-2-yl)-2-fluoro-6-(trifluoromethyl)benzamide;1-cyclopropyl-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide;3-chloro-N-(3,4-dioxo-1-phenylpentan-2-yl)-2-fluoro-6-(trifluoromethyl)benzamide;1-cyclopropyl-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide
PubChem CID158199544
Molecular FormulaC238H215ClF10N30O36S
Molecular Weight4329.01 g/mol
Exact Mass4325.52
IUPAC Name(2R)-1-benzyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide;3-chloro-N-(3,4-dioxo-1-phenylpentan-2-yl)-2-fluoro-6-(trifluoromethyl)benzamide;1-cyclopropyl-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide
SMILESCC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1c(C(F)(F)F)ccc(Cl)c1F.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cc(C)nn1-c1ncccn1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccccc1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1cccc(F)c1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccccc1F.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C2CC2)nc1-c1ccccc1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1oc(C)nc1-c1cccc(F)c1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1oc(C)nc1-c1ccccc1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1oc(C)nc1-c1ccccc1F.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1.O=CC(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccc1
InChIInChI=1S/C25H27N3O4.C24H23N3O3.C22H19F2N3O3.2C22H20FN3O3.2C22H19FN2O4.C22H20N2O4.C20H19N5O3.C19H14ClF4NO3.C18H15N3O2S/c29-22-14-13-21(28(22)16-18-9-5-2-6-10-18)24(31)27-20(15-17-7-3-1-4-8-17)23(30)25(32)26-19-11-12-19;1-16(28)23(29)21(14-17-8-4-2-5-9-17)25-24(30)20-15-27(19-12-13-19)26-22(20)18-10-6-3-7-11-18;1-14(28)20(29)18(12-15-8-4-2-5-9-15)25-21(30)17-13-27(22(23)24)26-19(17)16-10-6-3-7-11-16;1-14(27)21(28)19(12-15-8-4-3-5-9-15)24-22(29)17-13-26(2)25-20(17)16-10-6-7-11-18(16)23;1-14(27)21(28)19(11-15-7-4-3-5-8-15)24-22(29)18-13-26(2)25-20(18)16-9-6-10-17(23)12-16;1-13(26)20(27)18(12-15-8-4-3-5-9-15)25-22(28)21-19(24-14(2)29-21)16-10-6-7-11-17(16)23;1-13(26)20(27)18(11-15-7-4-3-5-8-15)25-22(28)21-19(24-14(2)29-21)16-9-6-10-17(23)12-16;1-14(25)20(26)18(13-16-9-5-3-6-10-16)24-22(27)21-19(23-15(2)28-21)17-11-7-4-8-12-17;1-13-11-17(25(24-13)20-21-9-6-10-22-20)19(28)23-16(18(27)14(2)26)12-15-7-4-3-5-8-15;1-10(26)17(27)14(9-11-5-3-2-4-6-11)25-18(28)15-12(19(22,23)24)7-8-13(20)16(15)21;22-12-15(11-13-7-3-1-4-8-13)19-18(23)17-16(20-24-21-17)14-9-5-2-6-10-14/h1-10,19-21H,11-16H2,(H,26,32)(H,27,31);2-11,15,19,21H,12-14H2,1H3,(H,25,30);2-11,13,18,22H,12H2,1H3,(H,25,30);3-11,13,19H,12H2,1-2H3,(H,24,29);3-10,12-13,19H,11H2,1-2H3,(H,24,29);3-11,18H,12H2,1-2H3,(H,25,28);3-10,12,18H,11H2,1-2H3,(H,25,28);3-12,18H,13H2,1-2H3,(H,24,27);3-11,16H,12H2,1-2H3,(H,23,28);2-8,14H,9H2,1H3,(H,25,28);1-10,12,15H,11H2,(H,19,23)/t20?,21-;;;;;;;;;;/m1........../s1
InChIKeyGATLLLDNJZEOMS-KYAWJVPPSA-N
XLogP31.97
TPSA929.66 Ų
H-Bond Donors12
H-Bond Acceptors54
Rotatable Bonds79
Heavy Atoms316
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004329.01
LogP ≤ 531.97
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1054

Analyze (2R)-1-benzyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide;3-chloro-N-(3,4-dioxo-1-phenylpentan-2-yl)-2-fluoro-6-(trifluoromethyl)benzamide;1-cyclopropyl-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide;3-chloro-N-(3,4-dioxo-1-phenylpentan-2-yl)-2-fluoro-6-(trifluoromethyl)benzamide;1-cyclopropyl-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of (2R)-1-benzyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide;3-chloro-N-(3,4-dioxo-1-phenylpentan-2-yl)-2-fluoro-6-(trifluoromethyl)benzamide;1-cyclopropyl-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide (CID 158199544) is (2R)-1-benzyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide;3-chloro-N-(3,4-dioxo-1-phenylpentan-2-yl)-2-fluoro-6-(trifluoromethyl)benzamide;1-cyclopropyl-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide;3-chloro-N-(3,4-dioxo-1-phenylpentan-2-yl)-2-fluoro-6-(trifluoromethyl)benzamide;1-cyclopropyl-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for (2R)-1-benzyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide;3-chloro-N-(3,4-dioxo-1-phenylpentan-2-yl)-2-fluoro-6-(trifluoromethyl)benzamide;1-cyclopropyl-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide is CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1c(C(F)(F)F)ccc(Cl)c1F.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cc(C)nn1-c1ncccn1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccccc1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1cccc(F)c1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccccc1F.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C2CC2)nc1-c1ccccc1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1oc(C)nc1-c1cccc(F)c1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1oc(C)nc1-c1ccccc1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1oc(C)nc1-c1ccccc1F.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1.O=CC(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccc1.
What is the InChIKey of (2R)-1-benzyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide;3-chloro-N-(3,4-dioxo-1-phenylpentan-2-yl)-2-fluoro-6-(trifluoromethyl)benzamide;1-cyclopropyl-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is GATLLLDNJZEOMS-KYAWJVPPSA-N. The full InChI is InChI=1S/C25H27N3O4.C24H23N3O3.C22H19F2N3O3.2C22H20FN3O3.2C22H19FN2O4.C22H20N2O4.C20H19N5O3.C19H14ClF4NO3.C18H15N3O2S/c29-22-14-13-21(28(22)16-18-9-5-2-6-10-18)24(31)27-20(15-17-7-3-1-4-8-17)23(30)25(32)26-19-11-12-19;1-16(28)23(29)21(14-17-8-4-2-5-9-17)25-24(30)20-15-27(19-12-13-19)26-22(20)18-10-6-3-7-11-18;1-14(28)20(29)18(12-15-8-4-2-5-9-15)25-21(30)17-13-27(22(23)24)26-19(17)16-10-6-3-7-11-16;1-14(27)21(28)19(12-15-8-4-3-5-9-15)24-22(29)17-13-26(2)25-20(17)16-10-6-7-11-18(16)23;1-14(27)21(28)19(11-15-7-4-3-5-8-15)24-22(29)18-13-26(2)25-20(18)16-9-6-10-17(23)12-16;1-13(26)20(27)18(12-15-8-4-3-5-9-15)25-22(28)21-19(24-14(2)29-21)16-10-6-7-11-17(16)23;1-13(26)20(27)18(11-15-7-4-3-5-8-15)25-22(28)21-19(24-14(2)29-21)16-9-6-10-17(23)12-16;1-14(25)20(26)18(13-16-9-5-3-6-10-16)24-22(27)21-19(23-15(2)28-21)17-11-7-4-8-12-17;1-13-11-17(25(24-13)20-21-9-6-10-22-20)19(28)23-16(18(27)14(2)26)12-15-7-4-3-5-8-15;1-10(26)17(27)14(9-11-5-3-2-4-6-11)25-18(28)15-12(19(22,23)24)7-8-13(20)16(15)21;22-12-15(11-13-7-3-1-4-8-13)19-18(23)17-16(20-24-21-17)14-9-5-2-6-10-14/h1-10,19-21H,11-16H2,(H,26,32)(H,27,31);2-11,15,19,21H,12-14H2,1H3,(H,25,30);2-11,13,18,22H,12H2,1H3,(H,25,30);3-11,13,19H,12H2,1-2H3,(H,24,29);3-10,12-13,19H,11H2,1-2H3,(H,24,29);3-11,18H,12H2,1-2H3,(H,25,28);3-10,12,18H,11H2,1-2H3,(H,25,28);3-12,18H,13H2,1-2H3,(H,24,27);3-11,16H,12H2,1-2H3,(H,23,28);2-8,14H,9H2,1H3,(H,25,28);1-10,12,15H,11H2,(H,19,23)/t20?,21-;;;;;;;;;;/m1........../s1.
What are the key properties of (2R)-1-benzyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide;3-chloro-N-(3,4-dioxo-1-phenylpentan-2-yl)-2-fluoro-6-(trifluoromethyl)benzamide;1-cyclopropyl-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide?
(2R)-1-benzyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide;3-chloro-N-(3,4-dioxo-1-phenylpentan-2-yl)-2-fluoro-6-(trifluoromethyl)benzamide;1-cyclopropyl-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 4329.01 g/mol, XLogP of 31.97, 79 rotatable bonds, 12 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide;3-chloro-N-(3,4-dioxo-1-phenylpentan-2-yl)-2-fluoro-6-(trifluoromethyl)benzamide;1-cyclopropyl-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 158199544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).