N-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-benzimidazol-4-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-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide

C177H162N18O15S2 — CID 159361991

IUPACN-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-benzimidazol-4-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-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide
SMILESCC(=O)N1CCN(c2ccccc2CC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1.Cn1ccc2cccc(CC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)c21.Cn1cnc2cccc(CC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)c21.Cn1ncc2c(CC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)cccc21.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]cnc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ncsc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2scnc12)c1ccccc1
InChIInChI=1S/C29H31N3O3.C26H24N2O2.2C25H23N3O2.C24H21N3O2.2C24H20N2O2S/c1-22(33)31-16-18-32(19-17-31)27-15-9-8-14-25(27)21-28(34)26(20-23-10-4-2-5-11-23)30-29(35)24-12-6-3-7-13-24;1-28-16-15-20-13-8-14-22(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;1-28-23-14-8-13-20(21(23)17-26-28)16-24(29)22(15-18-9-4-2-5-10-18)27-25(30)19-11-6-3-7-12-19;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;28-22(15-19-12-7-13-20-23(19)26-16-25-20)21(14-17-8-3-1-4-9-17)27-24(29)18-10-5-2-6-11-18;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/h2-15,26H,16-21H2,1H3,(H,30,35);2-16,23H,17-18H2,1H3,(H,27,30);2*2-14,17,22H,15-16H2,1H3,(H,27,30);1-13,16,21H,14-15H2,(H,25,26)(H,27,29);1-13,16,20H,14-15H2,(H,26,28);1-13,16,21H,14-15H2,(H,26,28)
InChIKeyLIQPTTOQXSKQQA-UHFFFAOYSA-N
MW2845.49 g/mol
LogP27.91
Rot. Bonds50

About N-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-benzimidazol-4-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-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide

N-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-benzimidazol-4-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-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide (PubChem CID 159361991) has the molecular formula C177H162N18O15S2 and a molecular weight of 2845.49 g/mol. Its IUPAC name is N-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-benzimidazol-4-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-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindazol-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-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-benzimidazol-4-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-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide
PubChem CID159361991
Molecular FormulaC177H162N18O15S2
Molecular Weight2845.49 g/mol
Exact Mass2843.19
IUPAC NameN-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-benzimidazol-4-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-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide
SMILESCC(=O)N1CCN(c2ccccc2CC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1.Cn1ccc2cccc(CC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)c21.Cn1cnc2cccc(CC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)c21.Cn1ncc2c(CC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)cccc21.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]cnc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ncsc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2scnc12)c1ccccc1
InChIInChI=1S/C29H31N3O3.C26H24N2O2.2C25H23N3O2.C24H21N3O2.2C24H20N2O2S/c1-22(33)31-16-18-32(19-17-31)27-15-9-8-14-25(27)21-28(34)26(20-23-10-4-2-5-11-23)30-29(35)24-12-6-3-7-13-24;1-28-16-15-20-13-8-14-22(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;1-28-23-14-8-13-20(21(23)17-26-28)16-24(29)22(15-18-9-4-2-5-10-18)27-25(30)19-11-6-3-7-12-19;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;28-22(15-19-12-7-13-20-23(19)26-16-25-20)21(14-17-8-3-1-4-9-17)27-24(29)18-10-5-2-6-11-18;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/h2-15,26H,16-21H2,1H3,(H,30,35);2-16,23H,17-18H2,1H3,(H,27,30);2*2-14,17,22H,15-16H2,1H3,(H,27,30);1-13,16,21H,14-15H2,(H,25,26)(H,27,29);1-13,16,20H,14-15H2,(H,26,28);1-13,16,21H,14-15H2,(H,26,28)
InChIKeyLIQPTTOQXSKQQA-UHFFFAOYSA-N
XLogP27.91
TPSA441.77 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds50
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002845.49
LogP ≤ 527.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze N-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-benzimidazol-4-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-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-yl-3H-indol-2-one;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157114759
2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157331405
2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-hydroxy-1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)ethanone;2-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 159549598
2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-7-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-(oxetan-3-yl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one
CID 159749514
3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 160413058
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[1-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]cyclohexyl]-2-oxoethyl]piperidin-4-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 168102431
2-[3-(difluoromethyl)-6-methyl-4,5,6,7-tetrahydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-[4-(1H-imidazol-2-yl)phenyl]piperazin-1-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]ethyl]acetamide
CID 169615901
6-[6-[2-[[2-[2-(dimethylcarbamoyl)-1-benzothiophen-6-yl]pyrimidin-4-yl]amino]-5-(1H-pyrazol-4-yl)phenyl]-4-[4-(1H-pyrazol-4-yl)anilino]thieno[3,2-d]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 137387235
6-[3-[[3-[5-[[7-phenyl-2-[2-(propan-2-ylcarbamoyl)-1-benzothiophen-6-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1H-indazol-7-yl]-1H-indazol-5-yl]amino]pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 137387421
1-[1-(5-amino-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one;ethane;6-N-[4-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]pyrimidin-2-yl]-1,3-benzothiazole-2,6-diamine;2-(2-methylpyrazol-3-yl)pyridine;molecular hydrogen
CID 144418466
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
ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine
CID 157276666

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-benzimidazol-4-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-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindazol-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-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-benzimidazol-4-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-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide (CID 159361991) is N-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-benzimidazol-4-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-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindazol-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-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-benzimidazol-4-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-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindazol-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-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-benzimidazol-4-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-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide is CC(=O)N1CCN(c2ccccc2CC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1.Cn1ccc2cccc(CC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)c21.Cn1cnc2cccc(CC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)c21.Cn1ncc2c(CC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)cccc21.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]cnc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ncsc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2scnc12)c1ccccc1.
What is the InChIKey of N-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-benzimidazol-4-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-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindazol-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 LIQPTTOQXSKQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3.C26H24N2O2.2C25H23N3O2.C24H21N3O2.2C24H20N2O2S/c1-22(33)31-16-18-32(19-17-31)27-15-9-8-14-25(27)21-28(34)26(20-23-10-4-2-5-11-23)30-29(35)24-12-6-3-7-13-24;1-28-16-15-20-13-8-14-22(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;1-28-23-14-8-13-20(21(23)17-26-28)16-24(29)22(15-18-9-4-2-5-10-18)27-25(30)19-11-6-3-7-12-19;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;28-22(15-19-12-7-13-20-23(19)26-16-25-20)21(14-17-8-3-1-4-9-17)27-24(29)18-10-5-2-6-11-18;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/h2-15,26H,16-21H2,1H3,(H,30,35);2-16,23H,17-18H2,1H3,(H,27,30);2*2-14,17,22H,15-16H2,1H3,(H,27,30);1-13,16,21H,14-15H2,(H,25,26)(H,27,29);1-13,16,20H,14-15H2,(H,26,28);1-13,16,21H,14-15H2,(H,26,28).
What are the key properties of N-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-benzimidazol-4-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-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide?
N-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-benzimidazol-4-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-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindazol-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 2845.49 g/mol, XLogP of 27.91, 50 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-benzimidazol-4-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-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindazol-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 159361991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).