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

C153H134N14O16S — CID 158140159

IUPACN-[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
SMILESCOc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccc2[nH]ccc12.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2)c1cccc2[nH]ccc12.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)Cc1cccc2cnccc12)c1cccc2[nH]ccc12
InChIInChI=1S/C28H23N3O2.C27H24N2O4.C26H24N2O3.C25H22N2O3.C24H21N3O2.C23H20N2O2S/c32-27(17-20-8-4-9-21-18-29-14-12-22(20)21)26(16-19-6-2-1-3-7-19)31-28(33)24-10-5-11-25-23(24)13-15-30-25;30-24(17-19-8-4-11-25-26(19)33-15-14-32-25)23(16-18-6-2-1-3-7-18)29-27(31)21-9-5-10-22-20(21)12-13-28-22;1-31-25-13-6-5-10-19(25)17-24(29)23(16-18-8-3-2-4-9-18)28-26(30)21-11-7-12-22-20(21)14-15-27-22;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;28-22(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;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/h1-15,18,26,30H,16-17H2,(H,31,33);1-13,23,28H,14-17H2,(H,29,31);2-15,23,27H,16-17H2,1H3,(H,28,30);1-14,22,26,28H,15-16H2,(H,27,30);1-13,16,21H,14-15H2,(H,25,27)(H,26,29);1-13,19,24H,14-15H2,(H,25,27)
InChIKeyFTVIUHRSJBSERH-UHFFFAOYSA-N
MW2456.90 g/mol
LogP25.41
Rot. Bonds43

About 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

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 (PubChem CID 158140159) has the molecular formula C153H134N14O16S and a molecular weight of 2456.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID158140159
Molecular FormulaC153H134N14O16S
Molecular Weight2456.90 g/mol
Exact Mass2454.98
IUPAC NameN-[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
SMILESCOc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccc2[nH]ccc12.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2)c1cccc2[nH]ccc12.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)Cc1cccc2cnccc12)c1cccc2[nH]ccc12
InChIInChI=1S/C28H23N3O2.C27H24N2O4.C26H24N2O3.C25H22N2O3.C24H21N3O2.C23H20N2O2S/c32-27(17-20-8-4-9-21-18-29-14-12-22(20)21)26(16-19-6-2-1-3-7-19)31-28(33)24-10-5-11-25-23(24)13-15-30-25;30-24(17-19-8-4-11-25-26(19)33-15-14-32-25)23(16-18-6-2-1-3-7-18)29-27(31)21-9-5-10-22-20(21)12-13-28-22;1-31-25-13-6-5-10-19(25)17-24(29)23(16-18-8-3-2-4-9-18)28-26(30)21-11-7-12-22-20(21)14-15-27-22;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;28-22(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;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/h1-15,18,26,30H,16-17H2,(H,31,33);1-13,23,28H,14-17H2,(H,29,31);2-15,23,27H,16-17H2,1H3,(H,28,30);1-14,22,26,28H,15-16H2,(H,27,30);1-13,16,21H,14-15H2,(H,25,27)(H,26,29);1-13,19,24H,14-15H2,(H,25,27)
InChIKeyFTVIUHRSJBSERH-UHFFFAOYSA-N
XLogP25.41
TPSA445.46 Ų
H-Bond Donors13
H-Bond Acceptors19
Rotatable Bonds43
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002456.90
LogP ≤ 525.41
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Related Compounds

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
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
3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide
CID 158259263
1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-(3-methoxyphenyl)-2-methylpropanamide;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole
CID 158283202
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-[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
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)-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccc2[nH]ccc12.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2)c1cccc2[nH]ccc12.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)Cc1cccc2cnccc12)c1cccc2[nH]ccc12.
What is the InChIKey of 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?
The InChIKey is FTVIUHRSJBSERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2.C27H24N2O4.C26H24N2O3.C25H22N2O3.C24H21N3O2.C23H20N2O2S/c32-27(17-20-8-4-9-21-18-29-14-12-22(20)21)26(16-19-6-2-1-3-7-19)31-28(33)24-10-5-11-25-23(24)13-15-30-25;30-24(17-19-8-4-11-25-26(19)33-15-14-32-25)23(16-18-6-2-1-3-7-18)29-27(31)21-9-5-10-22-20(21)12-13-28-22;1-31-25-13-6-5-10-19(25)17-24(29)23(16-18-8-3-2-4-9-18)28-26(30)21-11-7-12-22-20(21)14-15-27-22;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;28-22(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;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/h1-15,18,26,30H,16-17H2,(H,31,33);1-13,23,28H,14-17H2,(H,29,31);2-15,23,27H,16-17H2,1H3,(H,28,30);1-14,22,26,28H,15-16H2,(H,27,30);1-13,16,21H,14-15H2,(H,25,27)(H,26,29);1-13,19,24H,14-15H2,(H,25,27).
What are the key properties of 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?
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 has a molecular weight of 2456.90 g/mol, XLogP of 25.41, 43 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158140159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).