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-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-[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

C161H146FN9O22S6 — CID 161497596

IUPACN-[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-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-[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
SMILESCOc1ccccc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.COc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccs1.Cc1ccccc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2cnccc12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cnccc12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OCF)c1ccccc1
InChIInChI=1S/C24H22FNO3.C24H20N2O3S.C24H20N2O2S.C23H21NO4S.C22H21NO4S.2C22H21NO3S/c25-17-29-23-14-8-7-13-20(23)16-22(27)21(15-18-9-3-1-4-10-18)26-24(28)19-11-5-2-6-12-19;27-19-8-6-16(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(15-18-8-4-9-19-16-25-12-11-20(18)19)21(14-17-6-2-1-3-7-17)26-24(28)23-10-5-13-29-23;25-19(15-17-8-4-9-20-22(17)28-12-11-27-20)18(14-16-6-2-1-3-7-16)24-23(26)21-10-5-13-29-21;1-27-20-6-3-2-5-16(20)14-19(25)18(13-15-8-10-17(24)11-9-15)23-22(26)21-7-4-12-28-21;1-15-5-2-3-6-17(15)14-20(25)19(13-16-8-10-18(24)11-9-16)23-22(26)21-7-4-12-27-21;1-26-20-11-6-5-10-17(20)15-19(24)18(14-16-8-3-2-4-9-16)23-22(25)21-12-7-13-27-21/h1-14,21H,15-17H2,(H,26,28);1-12,15,21,27H,13-14H2,(H,26,29);1-13,16,21H,14-15H2,(H,26,28);1-10,13,18H,11-12,14-15H2,(H,24,26);2-12,18,24H,13-14H2,1H3,(H,23,26);2-12,19,24H,13-14H2,1H3,(H,23,26);2-13,18H,14-15H2,1H3,(H,23,25)
InChIKeyWGKMFTQARYBPHZ-UHFFFAOYSA-N
MW2770.38 g/mol
LogP27.86
Rot. Bonds53

About 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-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-[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-[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-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-[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 (PubChem CID 161497596) has the molecular formula C161H146FN9O22S6 and a molecular weight of 2770.38 g/mol. Its IUPAC name is 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-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-[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.

Molecular Properties

Compound NameN-[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-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-[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
PubChem CID161497596
Molecular FormulaC161H146FN9O22S6
Molecular Weight2770.38 g/mol
Exact Mass2767.89
IUPAC NameN-[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-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-[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
SMILESCOc1ccccc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.COc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccs1.Cc1ccccc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2cnccc12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cnccc12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OCF)c1ccccc1
InChIInChI=1S/C24H22FNO3.C24H20N2O3S.C24H20N2O2S.C23H21NO4S.C22H21NO4S.2C22H21NO3S/c25-17-29-23-14-8-7-13-20(23)16-22(27)21(15-18-9-3-1-4-10-18)26-24(28)19-11-5-2-6-12-19;27-19-8-6-16(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(15-18-8-4-9-19-16-25-12-11-20(18)19)21(14-17-6-2-1-3-7-17)26-24(28)23-10-5-13-29-23;25-19(15-17-8-4-9-20-22(17)28-12-11-27-20)18(14-16-6-2-1-3-7-16)24-23(26)21-10-5-13-29-21;1-27-20-6-3-2-5-16(20)14-19(25)18(13-15-8-10-17(24)11-9-15)23-22(26)21-7-4-12-28-21;1-15-5-2-3-6-17(15)14-20(25)19(13-16-8-10-18(24)11-9-16)23-22(26)21-7-4-12-27-21;1-26-20-11-6-5-10-17(20)15-19(24)18(14-16-8-3-2-4-9-16)23-22(25)21-12-7-13-27-21/h1-14,21H,15-17H2,(H,26,28);1-12,15,21,27H,13-14H2,(H,26,29);1-13,16,21H,14-15H2,(H,26,28);1-10,13,18H,11-12,14-15H2,(H,24,26);2-12,18,24H,13-14H2,1H3,(H,23,26);2-12,19,24H,13-14H2,1H3,(H,23,26);2-13,18H,14-15H2,1H3,(H,23,25)
InChIKeyWGKMFTQARYBPHZ-UHFFFAOYSA-N
XLogP27.86
TPSA455.81 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds53
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002770.38
LogP ≤ 527.86
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 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-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-[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 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
(E)-N-ethyl-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxy-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 157358448
N-[1-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide;N-[1-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-[2-(fluoromethoxy)anilino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[3-(4-hydroxyphenyl)-1-(isoquinolin-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide;N-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide;N-[3-(4-hydroxyphenyl)-1-(2-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide;N-[1-(isoquinolin-5-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 157738933
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-(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-[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-[4-(1-benzofuran-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-benzothiophen-4-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)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide
CID 160187126
N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(3,4-dihydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide
CID 160566981
N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(3,4-dihydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide
CID 161415831

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]thiophene-2-carboxamide;N-[4-[2-(fluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;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-[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?
The IUPAC name of 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-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-[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 161497596) is 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-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-[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.
What is the SMILES notation for 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-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-[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?
The canonical SMILES for 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-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-[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 is COc1ccccc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.COc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccs1.Cc1ccccc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2cnccc12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cnccc12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OCF)c1ccccc1.
What is the InChIKey of 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-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-[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?
The InChIKey is WGKMFTQARYBPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO3.C24H20N2O3S.C24H20N2O2S.C23H21NO4S.C22H21NO4S.2C22H21NO3S/c25-17-29-23-14-8-7-13-20(23)16-22(27)21(15-18-9-3-1-4-10-18)26-24(28)19-11-5-2-6-12-19;27-19-8-6-16(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(15-18-8-4-9-19-16-25-12-11-20(18)19)21(14-17-6-2-1-3-7-17)26-24(28)23-10-5-13-29-23;25-19(15-17-8-4-9-20-22(17)28-12-11-27-20)18(14-16-6-2-1-3-7-16)24-23(26)21-10-5-13-29-21;1-27-20-6-3-2-5-16(20)14-19(25)18(13-15-8-10-17(24)11-9-15)23-22(26)21-7-4-12-28-21;1-15-5-2-3-6-17(15)14-20(25)19(13-16-8-10-18(24)11-9-16)23-22(26)21-7-4-12-27-21;1-26-20-11-6-5-10-17(20)15-19(24)18(14-16-8-3-2-4-9-16)23-22(25)21-12-7-13-27-21/h1-14,21H,15-17H2,(H,26,28);1-12,15,21,27H,13-14H2,(H,26,29);1-13,16,21H,14-15H2,(H,26,28);1-10,13,18H,11-12,14-15H2,(H,24,26);2-12,18,24H,13-14H2,1H3,(H,23,26);2-12,19,24H,13-14H2,1H3,(H,23,26);2-13,18H,14-15H2,1H3,(H,23,25).
What are the key properties of 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-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-[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-[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-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-[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 has a molecular weight of 2770.38 g/mol, XLogP of 27.86, 53 rotatable bonds, 10 hydrogen bond donors, and 30 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]thiophene-2-carboxamide;N-[4-[2-(fluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;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-[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 is sourced from PubChem (CID 161497596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).