N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2H-benzotriazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide

C147H130N16O12S2 — CID 157171875

IUPACN-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2H-benzotriazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12.Cn1ccc2cccc(CC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)c21.Cn1cnc2cccc(CC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)c21.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2n[nH]nc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ncsc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2scnc12)c1ccccc1
InChIInChI=1S/C26H24N2O2.2C25H23N3O2.2C24H20N2O2S.C23H20N4O2/c1-28-16-15-20-13-8-14-22(25(20)28)18-24(29)23(17-19-9-4-2-5-10-19)27-26(30)21-11-6-3-7-12-21;1-28-17-26-21-14-8-13-20(24(21)28)16-23(29)22(15-18-9-4-2-5-10-18)27-25(30)19-11-6-3-7-12-19;1-17-8-5-6-12-20(17)25(30)27-23(14-18-9-3-2-4-10-18)24(29)15-19-11-7-13-22-21(19)16-26-28-22;27-21(15-19-12-7-13-22-23(19)25-16-29-22)20(14-17-8-3-1-4-9-17)26-24(28)18-10-5-2-6-11-18;27-22(15-19-12-7-13-20-23(19)29-16-25-20)21(14-17-8-3-1-4-9-17)26-24(28)18-10-5-2-6-11-18;28-21(15-18-12-7-13-19-22(18)26-27-25-19)20(14-16-8-3-1-4-9-16)24-23(29)17-10-5-2-6-11-17/h2-16,23H,17-18H2,1H3,(H,27,30);2-14,17,22H,15-16H2,1H3,(H,27,30);2-13,16,23H,14-15H2,1H3,(H,26,28)(H,27,30);1-13,16,20H,14-15H2,(H,26,28);1-13,16,21H,14-15H2,(H,26,28);1-13,20H,14-15H2,(H,24,29)(H,25,26,27)
InChIKeyANOFDNOVXKJPRD-UHFFFAOYSA-N
MW2376.89 g/mol
LogP24.09
Rot. Bonds42

About N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2H-benzotriazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide

N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2H-benzotriazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide (PubChem CID 157171875) has the molecular formula C147H130N16O12S2 and a molecular weight of 2376.89 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2H-benzotriazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2H-benzotriazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide
PubChem CID157171875
Molecular FormulaC147H130N16O12S2
Molecular Weight2376.89 g/mol
Exact Mass2374.95
IUPAC NameN-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2H-benzotriazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12.Cn1ccc2cccc(CC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)c21.Cn1cnc2cccc(CC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)c21.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2n[nH]nc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ncsc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2scnc12)c1ccccc1
InChIInChI=1S/C26H24N2O2.2C25H23N3O2.2C24H20N2O2S.C23H20N4O2/c1-28-16-15-20-13-8-14-22(25(20)28)18-24(29)23(17-19-9-4-2-5-10-19)27-26(30)21-11-6-3-7-12-21;1-28-17-26-21-14-8-13-20(24(21)28)16-23(29)22(15-18-9-4-2-5-10-18)27-25(30)19-11-6-3-7-12-19;1-17-8-5-6-12-20(17)25(30)27-23(14-18-9-3-2-4-10-18)24(29)15-19-11-7-13-22-21(19)16-26-28-22;27-21(15-19-12-7-13-22-23(19)25-16-29-22)20(14-17-8-3-1-4-9-17)26-24(28)18-10-5-2-6-11-18;27-22(15-19-12-7-13-20-23(19)29-16-25-20)21(14-17-8-3-1-4-9-17)26-24(28)18-10-5-2-6-11-18;28-21(15-18-12-7-13-19-22(18)26-27-25-19)20(14-16-8-3-1-4-9-16)24-23(29)17-10-5-2-6-11-17/h2-16,23H,17-18H2,1H3,(H,27,30);2-14,17,22H,15-16H2,1H3,(H,27,30);2-13,16,23H,14-15H2,1H3,(H,26,28)(H,27,30);1-13,16,20H,14-15H2,(H,26,28);1-13,16,21H,14-15H2,(H,26,28);1-13,20H,14-15H2,(H,24,29)(H,25,26,27)
InChIKeyANOFDNOVXKJPRD-UHFFFAOYSA-N
XLogP24.09
TPSA395.80 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds42
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002376.89
LogP ≤ 524.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2H-benzotriazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide with MolForge

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Related Compounds

N-[1-(1H-benzimidazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-(1,3-benzothiazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-(1,3-benzothiazol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-(2H-benzotriazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(3-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(1-methylindazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(1-methylindol-7-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 161222754
N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide
CID 147508391
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide
CID 95302082
N-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide
CID 157198147
N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-isoquinolin-3-yl-1H-benzimidazole-4-carboxamide
CID 58724504
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinoxalin-2-ylpyrazole-4-carboxamide
CID 159627451
N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide
CID 157146271
bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate
CID 51041539
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
N-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide
CID 158168570
N-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide
CID 148820578
N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 41320207

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2H-benzotriazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide?
The IUPAC name of N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2H-benzotriazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide (CID 157171875) is N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2H-benzotriazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2H-benzotriazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2H-benzotriazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide is Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12.Cn1ccc2cccc(CC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)c21.Cn1cnc2cccc(CC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)c21.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2n[nH]nc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ncsc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2scnc12)c1ccccc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2H-benzotriazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide?
The InChIKey is ANOFDNOVXKJPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2.2C25H23N3O2.2C24H20N2O2S.C23H20N4O2/c1-28-16-15-20-13-8-14-22(25(20)28)18-24(29)23(17-19-9-4-2-5-10-19)27-26(30)21-11-6-3-7-12-21;1-28-17-26-21-14-8-13-20(24(21)28)16-23(29)22(15-18-9-4-2-5-10-18)27-25(30)19-11-6-3-7-12-19;1-17-8-5-6-12-20(17)25(30)27-23(14-18-9-3-2-4-10-18)24(29)15-19-11-7-13-22-21(19)16-26-28-22;27-21(15-19-12-7-13-22-23(19)25-16-29-22)20(14-17-8-3-1-4-9-17)26-24(28)18-10-5-2-6-11-18;27-22(15-19-12-7-13-20-23(19)29-16-25-20)21(14-17-8-3-1-4-9-17)26-24(28)18-10-5-2-6-11-18;28-21(15-18-12-7-13-19-22(18)26-27-25-19)20(14-16-8-3-1-4-9-16)24-23(29)17-10-5-2-6-11-17/h2-16,23H,17-18H2,1H3,(H,27,30);2-14,17,22H,15-16H2,1H3,(H,27,30);2-13,16,23H,14-15H2,1H3,(H,26,28)(H,27,30);1-13,16,20H,14-15H2,(H,26,28);1-13,16,21H,14-15H2,(H,26,28);1-13,20H,14-15H2,(H,24,29)(H,25,26,27).
What are the key properties of N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2H-benzotriazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide?
N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2H-benzotriazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide has a molecular weight of 2376.89 g/mol, XLogP of 24.09, 42 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2H-benzotriazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 157171875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).