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

C138H121ClFN9O17S6 — CID 158782869

IUPACN-[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
SMILESCc1ccc(Cl)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.Cc1ccc(F)cc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccs1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1OCCO2)c1cccs1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2cnccc12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ncccc12)c1cccs1
InChIInChI=1S/C24H20N2O3S.C24H20N2O2S.C23H20N2O2S.C23H21NO5S.C22H20ClNO3S.C22H20FNO2S/c27-19-8-6-16(7-9-19)13-21(26-24(29)23-5-2-12-30-23)22(28)14-17-3-1-4-18-15-25-11-10-20(17)18;27-22(16-18-9-4-11-20-19(18)10-5-13-25-20)21(15-17-7-2-1-3-8-17)26-24(28)23-12-6-14-29-23;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;1-14-4-7-17(23)12-16(14)13-20(26)19(11-15-5-8-18(25)9-6-15)24-22(27)21-3-2-10-28-21;1-15-9-10-18(23)13-17(15)14-20(25)19(12-16-6-3-2-4-7-16)24-22(26)21-8-5-11-27-21/h1-12,15,21,27H,13-14H2,(H,26,29);1-14,21H,15-16H2,(H,26,28);1-13,19,24H,14-15H2,(H,25,27);1-9,12,18,25H,10-11,13-14H2,(H,24,27);2-10,12,19,25H,11,13H2,1H3,(H,24,27);2-11,13,19H,12,14H2,1H3,(H,24,26)
InChIKeyIRHPIRPAARMOHQ-UHFFFAOYSA-N
MW2424.38 g/mol
LogP25.28
Rot. Bonds42

About 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

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 (PubChem CID 158782869) has the molecular formula C138H121ClFN9O17S6 and a molecular weight of 2424.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID158782869
Molecular FormulaC138H121ClFN9O17S6
Molecular Weight2424.38 g/mol
Exact Mass2421.69
IUPAC NameN-[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
SMILESCc1ccc(Cl)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.Cc1ccc(F)cc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccs1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1OCCO2)c1cccs1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2cnccc12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ncccc12)c1cccs1
InChIInChI=1S/C24H20N2O3S.C24H20N2O2S.C23H20N2O2S.C23H21NO5S.C22H20ClNO3S.C22H20FNO2S/c27-19-8-6-16(7-9-19)13-21(26-24(29)23-5-2-12-30-23)22(28)14-17-3-1-4-18-15-25-11-10-20(17)18;27-22(16-18-9-4-11-20-19(18)10-5-13-25-20)21(15-17-7-2-1-3-8-17)26-24(28)23-12-6-14-29-23;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;1-14-4-7-17(23)12-16(14)13-20(26)19(11-15-5-8-18(25)9-6-15)24-22(27)21-3-2-10-28-21;1-15-9-10-18(23)13-17(15)14-20(25)19(12-16-6-3-2-4-7-16)24-22(26)21-8-5-11-27-21/h1-12,15,21,27H,13-14H2,(H,26,29);1-14,21H,15-16H2,(H,26,28);1-13,19,24H,14-15H2,(H,25,27);1-9,12,18,25H,10-11,13-14H2,(H,24,27);2-10,12,19,25H,11,13H2,1H3,(H,24,27);2-11,13,19H,12,14H2,1H3,(H,24,26)
InChIKeyIRHPIRPAARMOHQ-UHFFFAOYSA-N
XLogP25.28
TPSA397.74 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds42
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002424.38
LogP ≤ 525.28
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Related Compounds

N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide
CID 160677728
2-(4-acetylphenyl)-1-[(1S)-2-[4-(aminomethyl)cyclohexanecarbonyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone;1-[2-[4-(aminomethyl)cyclohexanecarbonyl]-3,4-dihydro-1H-isoquinolin-1-yl]-2-[4-(1-methoxyethenylamino)phenyl]ethanone;2-chloro-5-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 161642904
2-chloro-N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-[5-fluoro-2-(fluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-fluoro-N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide
CID 157070710
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-[4-(5-chloro-2-methylphenyl)-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-[4-(5-fluoro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-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-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide
CID 157633236
N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(5-chloro-2-methylphenyl)-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;2-fluoro-N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;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 157760430
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-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide
CID 158779905
N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide
CID 158925120
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(Cl)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.Cc1ccc(F)cc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccs1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1OCCO2)c1cccs1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2cnccc12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ncccc12)c1cccs1.
What is the InChIKey of 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?
The InChIKey is IRHPIRPAARMOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S.C24H20N2O2S.C23H20N2O2S.C23H21NO5S.C22H20ClNO3S.C22H20FNO2S/c27-19-8-6-16(7-9-19)13-21(26-24(29)23-5-2-12-30-23)22(28)14-17-3-1-4-18-15-25-11-10-20(17)18;27-22(16-18-9-4-11-20-19(18)10-5-13-25-20)21(15-17-7-2-1-3-8-17)26-24(28)23-12-6-14-29-23;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;1-14-4-7-17(23)12-16(14)13-20(26)19(11-15-5-8-18(25)9-6-15)24-22(27)21-3-2-10-28-21;1-15-9-10-18(23)13-17(15)14-20(25)19(12-16-6-3-2-4-7-16)24-22(26)21-8-5-11-27-21/h1-12,15,21,27H,13-14H2,(H,26,29);1-14,21H,15-16H2,(H,26,28);1-13,19,24H,14-15H2,(H,25,27);1-9,12,18,25H,10-11,13-14H2,(H,24,27);2-10,12,19,25H,11,13H2,1H3,(H,24,27);2-11,13,19H,12,14H2,1H3,(H,24,26).
What are the key properties of 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?
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 has a molecular weight of 2424.38 g/mol, XLogP of 25.28, 42 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158782869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).