N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide

C167H148N16O19S2 — CID 159629140

IUPACN-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide
SMILESCOc1ncccc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1OCCO2)c1cccs1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cn[nH]c12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cnncc12)c1ccccc1
InChIInChI=1S/C25H21N3O2.C25H22N2O3.2C24H21N3O2.C23H22N2O3.C23H20N2O2S.C23H21NO5S/c29-24(15-20-12-7-13-21-16-26-27-17-22(20)21)23(14-18-8-3-1-4-9-18)28-25(30)19-10-5-2-6-11-19;28-21-11-9-17(10-12-21)15-22(27-25(30)19-5-2-1-3-6-19)23(29)16-20-8-4-7-18-13-14-26-24(18)20;28-23(15-19-12-7-13-21-20(19)16-25-27-21)22(14-17-8-3-1-4-9-17)26-24(29)18-10-5-2-6-11-18;28-22(15-19-12-7-13-20-16-25-27-23(19)20)21(14-17-8-3-1-4-9-17)26-24(29)18-10-5-2-6-11-18;1-28-23-19(13-8-14-24-23)16-21(26)20(15-17-9-4-2-5-10-17)25-22(27)18-11-6-3-7-12-18;26-20(15-18-9-4-8-17-11-12-24-22(17)18)19(14-16-6-2-1-3-7-16)25-23(27)21-10-5-13-28-21;25-17-8-6-15(7-9-17)13-18(24-23(27)21-5-2-12-30-21)19(26)14-16-3-1-4-20-22(16)29-11-10-28-20/h1-13,16-17,23H,14-15H2,(H,28,30);1-14,22,26,28H,15-16H2,(H,27,30);1-13,16,22H,14-15H2,(H,25,27)(H,26,29);1-13,16,21H,14-15H2,(H,25,27)(H,26,29);2-14,20H,15-16H2,1H3,(H,25,27);1-13,19,24H,14-15H2,(H,25,27);1-9,12,18,25H,10-11,13-14H2,(H,24,27)
InChIKeyMOWUYQBVSLEYPD-UHFFFAOYSA-N
MW2747.25 g/mol
LogP26.24
Rot. Bonds50

About N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide

N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide (PubChem CID 159629140) has the molecular formula C167H148N16O19S2 and a molecular weight of 2747.25 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide
PubChem CID159629140
Molecular FormulaC167H148N16O19S2
Molecular Weight2747.25 g/mol
Exact Mass2745.05
IUPAC NameN-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide
SMILESCOc1ncccc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1OCCO2)c1cccs1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cn[nH]c12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cnncc12)c1ccccc1
InChIInChI=1S/C25H21N3O2.C25H22N2O3.2C24H21N3O2.C23H22N2O3.C23H20N2O2S.C23H21NO5S/c29-24(15-20-12-7-13-21-16-26-27-17-22(20)21)23(14-18-8-3-1-4-9-18)28-25(30)19-10-5-2-6-11-19;28-21-11-9-17(10-12-21)15-22(27-25(30)19-5-2-1-3-6-19)23(29)16-20-8-4-7-18-13-14-26-24(18)20;28-23(15-19-12-7-13-21-20(19)16-25-27-21)22(14-17-8-3-1-4-9-17)26-24(29)18-10-5-2-6-11-18;28-22(15-19-12-7-13-20-16-25-27-23(19)20)21(14-17-8-3-1-4-9-17)26-24(29)18-10-5-2-6-11-18;1-28-23-19(13-8-14-24-23)16-21(26)20(15-17-9-4-2-5-10-17)25-22(27)18-11-6-3-7-12-18;26-20(15-18-9-4-8-17-11-12-24-22(17)18)19(14-16-6-2-1-3-7-16)25-23(27)21-10-5-13-28-21;25-17-8-6-15(7-9-17)13-18(24-23(27)21-5-2-12-30-21)19(26)14-16-3-1-4-20-22(16)29-11-10-28-20/h1-13,16-17,23H,14-15H2,(H,28,30);1-14,22,26,28H,15-16H2,(H,27,30);1-13,16,22H,14-15H2,(H,25,27)(H,26,29);1-13,16,21H,14-15H2,(H,25,27)(H,26,29);2-14,20H,15-16H2,1H3,(H,25,27);1-13,19,24H,14-15H2,(H,25,27);1-9,12,18,25H,10-11,13-14H2,(H,24,27)
InChIKeyMOWUYQBVSLEYPD-UHFFFAOYSA-N
XLogP26.24
TPSA518.95 Ų
H-Bond Donors13
H-Bond Acceptors26
Rotatable Bonds50
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002747.25
LogP ≤ 526.24
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1026

Analyze N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide with MolForge

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Related Compounds

(2S)-N-[3-(5-acetylthiophen-2-yl)-1H-indazol-5-yl]-1-benzylpyrrolidine-2-carboxamide;(2S)-N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-benzylpiperidine-4-carboxamide;(2S)-N-[3-(3-ethoxyphenyl)-1H-indazol-5-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;(3R)-3-hydroxy-3-phenyl-N-(3-pyridin-3-yl-1H-indazol-5-yl)propanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)piperidine-4-carboxamide
CID 159622710
N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-[2-(fluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)thiophene-2-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide
CID 157204206
CID 157822550
CID 157822550
N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-1H-indole-4-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide
CID 158140159
N-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(3,4-dihydroxyphenyl)methyl-[(3-hydroxy-4-methylphenyl)methyl]amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-(pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 158182069
N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide
CID 158726615
N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(5-fluoro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)thiophene-2-carboxamide
CID 158782869
N-(cyanomethyl)-3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 159117600
N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide
CID 159125999
N-[4-(1-benzofuran-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-benzothiophen-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide
CID 159498778
N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)thiophene-2-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide
CID 159515482
N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-hydroxycyclohexane-1-carboxamide;4-(hydroxymethyl)-N-(3-naphthalen-2-yl-1H-indazol-5-yl)benzamide;2-hydroxy-N-(3-naphthalen-2-yl-1H-indazol-5-yl)-3-phenylpropanamide;4-methoxy-N-(3-naphthalen-2-yl-1H-indazol-5-yl)cyclohexane-1-carboxamide
CID 159709550

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide?
The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide (CID 159629140) is N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide is COc1ncccc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1OCCO2)c1cccs1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cn[nH]c12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cnncc12)c1ccccc1.
What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide?
The InChIKey is MOWUYQBVSLEYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2.C25H22N2O3.2C24H21N3O2.C23H22N2O3.C23H20N2O2S.C23H21NO5S/c29-24(15-20-12-7-13-21-16-26-27-17-22(20)21)23(14-18-8-3-1-4-9-18)28-25(30)19-10-5-2-6-11-19;28-21-11-9-17(10-12-21)15-22(27-25(30)19-5-2-1-3-6-19)23(29)16-20-8-4-7-18-13-14-26-24(18)20;28-23(15-19-12-7-13-21-20(19)16-25-27-21)22(14-17-8-3-1-4-9-17)26-24(29)18-10-5-2-6-11-18;28-22(15-19-12-7-13-20-16-25-27-23(19)20)21(14-17-8-3-1-4-9-17)26-24(29)18-10-5-2-6-11-18;1-28-23-19(13-8-14-24-23)16-21(26)20(15-17-9-4-2-5-10-17)25-22(27)18-11-6-3-7-12-18;26-20(15-18-9-4-8-17-11-12-24-22(17)18)19(14-16-6-2-1-3-7-16)25-23(27)21-10-5-13-28-21;25-17-8-6-15(7-9-17)13-18(24-23(27)21-5-2-12-30-21)19(26)14-16-3-1-4-20-22(16)29-11-10-28-20/h1-13,16-17,23H,14-15H2,(H,28,30);1-14,22,26,28H,15-16H2,(H,27,30);1-13,16,22H,14-15H2,(H,25,27)(H,26,29);1-13,16,21H,14-15H2,(H,25,27)(H,26,29);2-14,20H,15-16H2,1H3,(H,25,27);1-13,19,24H,14-15H2,(H,25,27);1-9,12,18,25H,10-11,13-14H2,(H,24,27).
What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide?
N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide has a molecular weight of 2747.25 g/mol, XLogP of 26.24, 50 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide is sourced from PubChem (CID 159629140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).