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

C137H124F4N8O18S6 — CID 160677728

IUPACN-[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
SMILESCOc1cccc(CC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)c1C.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ccc12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OC(F)(F)O2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1N1CCCC1)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F)c1cccs1
InChIInChI=1S/C25H26N2O2S.C23H20N2O2S.C23H23NO3S.C22H17F2NO4S.C22H19F2NO3S.C22H19NO4S/c28-23(18-20-11-4-5-12-22(20)27-14-6-7-15-27)21(17-19-9-2-1-3-10-19)26-25(29)24-13-8-16-30-24;26-21(15-17-8-4-9-19-18(17)11-12-24-19)20(14-16-6-2-1-3-7-16)25-23(27)22-10-5-13-28-22;1-16-18(10-6-11-21(16)27-2)15-20(25)19(14-17-8-4-3-5-9-17)24-23(26)22-12-7-13-28-22;23-22(24)28-18-9-4-8-15(20(18)29-22)13-17(26)16(12-14-6-2-1-3-7-14)25-21(27)19-10-5-11-30-19;23-22(24)28-19-10-5-4-9-16(19)14-18(26)17(13-15-7-2-1-3-8-15)25-21(27)20-11-6-12-29-20;24-18(13-16-8-4-9-19-21(16)27-14-26-19)17(12-15-6-2-1-3-7-15)23-22(25)20-10-5-11-28-20/h1-5,8-13,16,21H,6-7,14-15,17-18H2,(H,26,29);1-13,20,24H,14-15H2,(H,25,27);3-13,19H,14-15H2,1-2H3,(H,24,26);1-11,16H,12-13H2,(H,25,27);1-12,17,22H,13-14H2,(H,25,27);1-11,17H,12-14H2,(H,23,25)
InChIKeyRNSWTXPQXIJABW-UHFFFAOYSA-N
MW2438.93 g/mol
LogP25.46
Rot. Bonds46

About 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

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 (PubChem CID 160677728) has the molecular formula C137H124F4N8O18S6 and a molecular weight of 2438.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID160677728
Molecular FormulaC137H124F4N8O18S6
Molecular Weight2438.93 g/mol
Exact Mass2436.73
IUPAC NameN-[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
SMILESCOc1cccc(CC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)c1C.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ccc12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OC(F)(F)O2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1N1CCCC1)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F)c1cccs1
InChIInChI=1S/C25H26N2O2S.C23H20N2O2S.C23H23NO3S.C22H17F2NO4S.C22H19F2NO3S.C22H19NO4S/c28-23(18-20-11-4-5-12-22(20)27-14-6-7-15-27)21(17-19-9-2-1-3-10-19)26-25(29)24-13-8-16-30-24;26-21(15-17-8-4-9-19-18(17)11-12-24-19)20(14-16-6-2-1-3-7-16)25-23(27)22-10-5-13-28-22;1-16-18(10-6-11-21(16)27-2)15-20(25)19(14-17-8-4-3-5-9-17)24-23(26)22-12-7-13-28-22;23-22(24)28-18-9-4-8-15(20(18)29-22)13-17(26)16(12-14-6-2-1-3-7-14)25-21(27)19-10-5-11-30-19;23-22(24)28-19-10-5-4-9-16(19)14-18(26)17(13-15-7-2-1-3-8-15)25-21(27)20-11-6-12-29-20;24-18(13-16-8-4-9-19-21(16)27-14-26-19)17(12-15-6-2-1-3-7-15)23-22(25)20-10-5-11-28-20/h1-5,8-13,16,21H,6-7,14-15,17-18H2,(H,26,29);1-13,20,24H,14-15H2,(H,25,27);3-13,19H,14-15H2,1-2H3,(H,24,26);1-11,16H,12-13H2,(H,25,27);1-12,17,22H,13-14H2,(H,25,27);1-11,17H,12-14H2,(H,23,25)
InChIKeyRNSWTXPQXIJABW-UHFFFAOYSA-N
XLogP25.46
TPSA351.43 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds46
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002438.93
LogP ≤ 525.46
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Related Compounds

2-[1,3-benzodioxol-5-yl(carboxymethylsulfanyl)methyl]sulfanylacetic acid;2-benzylpropanedioic acid;3-(2-carboxyethylsulfanyl)propanoic acid;2-[16-(carboxymethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetic acid;cis-(1R,2S)-cyclohexane-1,2-dicarboxylic acid;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioic acid;(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioic acid;3-methylcyclohex-4-ene-1,2-dicarboxylic acid;5-oxononanedioic acid;pentadecanedioic acid;(2R)-2-phenylbutanedioic acid;thiophene-3,4-dicarboxylic acid
CID 157122785
CID 157949458
CID 157949458
2-acetamidobutanedioic acid;2-[1,3-benzodioxol-5-yl(carboxymethylsulfanyl)methyl]sulfanylacetic acid;2-benzylpropanedioic acid;3-(2-carboxyethylsulfanyl)propanoic acid;2-[16-(carboxymethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetic acid;cis-(1R,2S)-cyclohexane-1,2-dicarboxylic acid;(1R,2S)-cyclohex-4-ene-1,2-dicarboxylic acid;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioic acid;(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioic acid;3-methylcyclohex-4-ene-1,2-dicarboxylic acid;5-oxononanedioic acid;pentadecanedioic acid;(2R)-2-phenylbutanedioic acid;thiophene-3,4-dicarboxylic acid
CID 158798472
N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;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
CID 158981808
4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene
CID 159644134
2-[1,3-benzodioxol-5-yl(carboxymethylsulfanyl)methyl]sulfanylacetic acid;3-(2-carboxyethylsulfanyl)propanoic acid;2-[16-(carboxymethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetic acid;cis-(1R,2S)-cyclohexane-1,2-dicarboxylic acid;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioic acid;(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioic acid;5-oxononanedioic acid;pentadecanedioic acid;(2R)-2-phenylbutanedioic acid;thiophene-3,4-dicarboxylic acid
CID 162055581
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-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide
CID 157146267
N-[[4-[[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-[bis(1H-indol-3-yl)methyl]benzamide;N-[[4-[[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-3-(cyclohexanecarbonyl)-1-methylindole-5-carboxamide;N-[[4-[[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methylbenzamide;N-[[4-[[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methyl-3-(thiophene-2-carbonyl)indole-5-carboxamide;N-[[4-[[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-3-(3-phenylpropyl)benzamide;3-[4-[[[4-[[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]methyl]benzoyl]amino]methyl]phenyl]-N,N-dimethylbenzamide;4-[[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]methyl]-N-[[4-(3,5-dimethyl-1,2-oxazol-2-ium-4-yl)phenyl]methyl]benzamide;methane;iodide
CID 158412421
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-(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
1-(2-aminophenyl)-4-phenylbutan-1-one;1-(2-amino-5-phenylphenyl)-4-phenylbutan-1-one;4-(1H-indol-3-yl)-1-(5-thiophen-2-yl-3-pyridinyl)butan-1-one;4-methoxy-3-methyl-N-(1-phenylethyl)benzamide;4-(6-phenyl-1-benzothiophen-3-yl)-1-pyridin-3-ylbutan-1-one;N-(2-phenylethyl)benzamide;N-(2-phenylethyl)-1,3-benzodioxole-5-carboxamide;N-(2-phenylethyl)pyridine-3-carboxamide
CID 158953090

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(CC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)c1C.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ccc12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OC(F)(F)O2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1N1CCCC1)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F)c1cccs1.
What is the InChIKey of 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?
The InChIKey is RNSWTXPQXIJABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S.C23H20N2O2S.C23H23NO3S.C22H17F2NO4S.C22H19F2NO3S.C22H19NO4S/c28-23(18-20-11-4-5-12-22(20)27-14-6-7-15-27)21(17-19-9-2-1-3-10-19)26-25(29)24-13-8-16-30-24;26-21(15-17-8-4-9-19-18(17)11-12-24-19)20(14-16-6-2-1-3-7-16)25-23(27)22-10-5-13-28-22;1-16-18(10-6-11-21(16)27-2)15-20(25)19(14-17-8-4-3-5-9-17)24-23(26)22-12-7-13-28-22;23-22(24)28-18-9-4-8-15(20(18)29-22)13-17(26)16(12-14-6-2-1-3-7-14)25-21(27)19-10-5-11-30-19;23-22(24)28-19-10-5-4-9-16(19)14-18(26)17(13-15-7-2-1-3-8-15)25-21(27)20-11-6-12-29-20;24-18(13-16-8-4-9-19-21(16)27-14-26-19)17(12-15-6-2-1-3-7-15)23-22(25)20-10-5-11-28-20/h1-5,8-13,16,21H,6-7,14-15,17-18H2,(H,26,29);1-13,20,24H,14-15H2,(H,25,27);3-13,19H,14-15H2,1-2H3,(H,24,26);1-11,16H,12-13H2,(H,25,27);1-12,17,22H,13-14H2,(H,25,27);1-11,17H,12-14H2,(H,23,25).
What are the key properties of 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?
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 has a molecular weight of 2438.93 g/mol, XLogP of 25.46, 46 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160677728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).