1-(1-benzothiophen-6-yl)-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-(4,7-dimethyl-1,3-benzothiazol-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one;7-tert-butylsulfonyl-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dimethylphenyl]heptan-2-one;7-tert-butylsulfonyl-1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(7-methyl-1-benzothiophen-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-[3-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one

C187H278F6N2O30S12 — CID 158069059

IUPAC1-(1-benzothiophen-6-yl)-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-(4,7-dimethyl-1,3-benzothiazol-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one;7-tert-butylsulfonyl-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dimethylphenyl]heptan-2-one;7-tert-butylsulfonyl-1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(7-methyl-1-benzothiophen-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-[3-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one
SMILESCC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2ccsc2c1.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1cccc(C(F)(F)F)c1.CC1COc2ccc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)cc2O1.CC1c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)cc2C(C)C1C.Cc1c(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)ccc(C(F)(F)F)c1C.Cc1c(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)ccc2c1CCC2C.Cc1c(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)ccc2ccsc12.Cc1cc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)c(C)c2scnc12.Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)c(C)cc1CC(=O)CCCCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C25H41NO4S.C23H36O3S.C22H34O3S.C20H29F3O3S.C20H29NO3S2.C20H30O5S.C20H28O3S2.C19H26O3S2.C18H25F3O3S/c1-18-14-24(26-16-20(3)30-21(4)17-26)19(2)13-22(18)15-23(27)11-9-8-10-12-31(28,29)25(5,6)7;1-16-17(2)21-12-11-19(15-22(21)18(16)3)14-20(24)10-8-7-9-13-27(25,26)23(4,5)6;1-16-10-12-21-17(2)18(11-13-20(16)21)15-19(23)9-7-6-8-14-26(24,25)22(3,4)5;1-14-15(2)18(20(21,22)23)11-10-16(14)13-17(24)9-7-6-8-12-27(25,26)19(3,4)5;1-14-11-16(15(2)19-18(14)21-13-25-19)12-17(22)9-7-6-8-10-26(23,24)20(3,4)5;1-15-14-24-18-10-9-16(13-19(18)25-15)12-17(21)8-6-5-7-11-26(22,23)20(2,3)4;1-15-17(10-9-16-11-12-24-19(15)16)14-18(21)8-6-5-7-13-25(22,23)20(2,3)4;1-19(2,3)24(21,22)12-6-4-5-7-17(20)13-15-8-9-16-10-11-23-18(16)14-15;1-17(2,3)25(23,24)11-6-4-5-10-16(22)13-14-8-7-9-15(12-14)18(19,20)21/h13-14,20-21H,8-12,15-17H2,1-7H3;11-12,15-18H,7-10,13-14H2,1-6H3;11,13,16H,6-10,12,14-15H2,1-5H3;10-11H,6-9,12-13H2,1-5H3;11,13H,6-10,12H2,1-5H3;9-10,13,15H,5-8,11-12,14H2,1-4H3;9-12H,5-8,13-14H2,1-4H3;8-11,14H,4-7,12-13H2,1-3H3;7-9,12H,4-6,10-11,13H2,1-3H3/t20-,21+;;;;;;;;
InChIKeyFLPFYOVLNFRSSH-ACRNKGKWSA-N
MW3533.06 g/mol
LogP43.37
Rot. Bonds73

About 1-(1-benzothiophen-6-yl)-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-(4,7-dimethyl-1,3-benzothiazol-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one;7-tert-butylsulfonyl-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dimethylphenyl]heptan-2-one;7-tert-butylsulfonyl-1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(7-methyl-1-benzothiophen-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-[3-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one

1-(1-benzothiophen-6-yl)-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-(4,7-dimethyl-1,3-benzothiazol-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one;7-tert-butylsulfonyl-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dimethylphenyl]heptan-2-one;7-tert-butylsulfonyl-1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(7-methyl-1-benzothiophen-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-[3-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one (PubChem CID 158069059) has the molecular formula C187H278F6N2O30S12 and a molecular weight of 3533.06 g/mol. Its IUPAC name is 1-(1-benzothiophen-6-yl)-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-(4,7-dimethyl-1,3-benzothiazol-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one;7-tert-butylsulfonyl-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dimethylphenyl]heptan-2-one;7-tert-butylsulfonyl-1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(7-methyl-1-benzothiophen-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-[3-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one.

Molecular Properties

Compound Name1-(1-benzothiophen-6-yl)-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-(4,7-dimethyl-1,3-benzothiazol-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one;7-tert-butylsulfonyl-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dimethylphenyl]heptan-2-one;7-tert-butylsulfonyl-1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(7-methyl-1-benzothiophen-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-[3-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one
PubChem CID158069059
Molecular FormulaC187H278F6N2O30S12
Molecular Weight3533.06 g/mol
Exact Mass3529.68
IUPAC Name1-(1-benzothiophen-6-yl)-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-(4,7-dimethyl-1,3-benzothiazol-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one;7-tert-butylsulfonyl-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dimethylphenyl]heptan-2-one;7-tert-butylsulfonyl-1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(7-methyl-1-benzothiophen-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-[3-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one
SMILESCC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2ccsc2c1.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1cccc(C(F)(F)F)c1.CC1COc2ccc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)cc2O1.CC1c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)cc2C(C)C1C.Cc1c(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)ccc(C(F)(F)F)c1C.Cc1c(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)ccc2c1CCC2C.Cc1c(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)ccc2ccsc12.Cc1cc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)c(C)c2scnc12.Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)c(C)cc1CC(=O)CCCCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C25H41NO4S.C23H36O3S.C22H34O3S.C20H29F3O3S.C20H29NO3S2.C20H30O5S.C20H28O3S2.C19H26O3S2.C18H25F3O3S/c1-18-14-24(26-16-20(3)30-21(4)17-26)19(2)13-22(18)15-23(27)11-9-8-10-12-31(28,29)25(5,6)7;1-16-17(2)21-12-11-19(15-22(21)18(16)3)14-20(24)10-8-7-9-13-27(25,26)23(4,5)6;1-16-10-12-21-17(2)18(11-13-20(16)21)15-19(23)9-7-6-8-14-26(24,25)22(3,4)5;1-14-15(2)18(20(21,22)23)11-10-16(14)13-17(24)9-7-6-8-12-27(25,26)19(3,4)5;1-14-11-16(15(2)19-18(14)21-13-25-19)12-17(22)9-7-6-8-10-26(23,24)20(3,4)5;1-15-14-24-18-10-9-16(13-19(18)25-15)12-17(21)8-6-5-7-11-26(22,23)20(2,3)4;1-15-17(10-9-16-11-12-24-19(15)16)14-18(21)8-6-5-7-13-25(22,23)20(2,3)4;1-19(2,3)24(21,22)12-6-4-5-7-17(20)13-15-8-9-16-10-11-23-18(16)14-15;1-17(2,3)25(23,24)11-6-4-5-10-16(22)13-14-8-7-9-15(12-14)18(19,20)21/h13-14,20-21H,8-12,15-17H2,1-7H3;11-12,15-18H,7-10,13-14H2,1-6H3;11,13,16H,6-10,12,14-15H2,1-5H3;10-11H,6-9,12-13H2,1-5H3;11,13H,6-10,12H2,1-5H3;9-10,13,15H,5-8,11-12,14H2,1-4H3;9-12H,5-8,13-14H2,1-4H3;8-11,14H,4-7,12-13H2,1-3H3;7-9,12H,4-6,10-11,13H2,1-3H3/t20-,21+;;;;;;;;
InChIKeyFLPFYOVLNFRSSH-ACRNKGKWSA-N
XLogP43.37
TPSA504.71 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds73
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003533.06
LogP ≤ 543.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(1-benzothiophen-6-yl)-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-(4,7-dimethyl-1,3-benzothiazol-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one;7-tert-butylsulfonyl-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dimethylphenyl]heptan-2-one;7-tert-butylsulfonyl-1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(7-methyl-1-benzothiophen-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-[3-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one with MolForge

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Related Compounds

6-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;5-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;3-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;1-[2-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,2,3,4-tetrahydronaphthalene
CID 157053781
6-(7-tert-butylsulfonylheptyl)-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-1,3-benzothiazole;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,5-dimethylphenyl]-2,3,6-trimethylmorpholine;1-(7-tert-butylsulfonylheptyl)-2,3-dimethyl-4-(trifluoromethyl)benzene;6-(7-tert-butylsulfonylheptyl)-7-methyl-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-3-methyl-2,3-dihydro-1,4-benzodioxine;1-(7-tert-butylsulfonylheptyl)-3-(trifluoromethyl)benzene;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethyl-2,3-dihydro-1H-indene
CID 157110256
6-(7-tert-butylsulfonylheptyl)-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-1,3-benzothiazole;5-(7-tert-butylsulfonylheptyl)-1,4-dimethyl-2,3-dihydro-1H-indene;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,5-dimethylphenyl]-2,3,6-trimethylmorpholine;1-(7-tert-butylsulfonylheptyl)-2,3-dimethyl-4-(trifluoromethyl)benzene;6-(7-tert-butylsulfonylheptyl)-7-methyl-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-3-methyl-2,3-dihydro-1,4-benzodioxine;1-(7-tert-butylsulfonylheptyl)-3-(trifluoromethyl)benzene;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethyl-2,3-dihydro-1H-indene
CID 157143636
N-(1-benzothiophen-6-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)pentanamide
CID 157270384
2-(4,7-dimethyl-1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)ethanone
CID 157293036
6-(7-tert-butylsulfonylheptyl)-7-methyl-1,3-benzothiazole;6-(7-tert-butylsulfonylheptyl)-5-methyl-2,3-dihydro-1,4-benzodioxine;5-(7-tert-butylsulfonylheptyl)-4-methyl-2,3-dihydro-1H-indene;3-(7-tert-butylsulfonylheptyl)-2-methyl-N-propan-2-ylbenzamide;1-(7-tert-butylsulfonylheptyl)-2-methyl-4-(trifluoromethyl)benzene;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)phenyl]-2,3,6-trimethylmorpholine;5-(7-tert-butylsulfonylheptyl)-1,2,3,4-tetrahydronaphthalene
CID 158115980
1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3-dimethyl-4-(trifluoromethyl)benzene;4,7-dimethyl-6-[2-(4-methylphenyl)ethyl]-1,3-benzothiazole;(2R,6S)-4-[2,5-dimethyl-4-[2-(4-methylphenyl)ethyl]phenyl]-2,3,6-trimethylmorpholine;7-methyl-6-[2-(4-methylphenyl)ethyl]-1-benzothiophene;3-methyl-6-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine;hexakis(2-methylpropane-2-sulfinate);1-methyl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene;1,2,3-trimethyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene
CID 158171962
1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4,7-dimethyl-1,3-benzothiazol-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[2,3-dimethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)ethanone
CID 158426769
4,7-dimethyl-6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;2,3-dimethyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;3-methyl-N-propan-2-yl-5-(7-propan-2-ylsulfonylheptyl)benzamide;7-methyl-6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;3-methyl-6-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1,4-benzodioxine;6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;1-(7-propan-2-ylsulfonylheptyl)-3-(trifluoromethyl)benzene;1,2,3-trimethyl-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene
CID 158442745
(2R,6S)-4-(4-heptyl-2,3-dimethylphenyl)-2,6-dimethylmorpholine;3-heptyl-2-methyl-N-propan-2-ylbenzamide;(2R,6S)-4-(4-heptylphenyl)-2,3,6-trimethylmorpholine;7-methyl-6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;5-methyl-6-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1,4-benzodioxine;4-methyl-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene;2-methyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;tris(propane-2-sulfinate);5-(7-propan-2-ylsulfonylheptyl)-1,2,3,4-tetrahydronaphthalene
CID 158525877
6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-4-methyl-2,3-dihydro-1H-indene;3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-N-propan-2-ylbenzamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-8-methyl-1,2,3,4-tetrahydronaphthalene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-2,3,6-trimethylmorpholine
CID 158604306
5-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;(2R,6S)-4-[4-[2-[4-(hexan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;1-[2-[4-(2-methylbutan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;6-[2-[4-(pentan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1,4-benzodioxine;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene
CID 158810014

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-6-yl)-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-(4,7-dimethyl-1,3-benzothiazol-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one;7-tert-butylsulfonyl-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dimethylphenyl]heptan-2-one;7-tert-butylsulfonyl-1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(7-methyl-1-benzothiophen-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-[3-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one?
The IUPAC name of 1-(1-benzothiophen-6-yl)-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-(4,7-dimethyl-1,3-benzothiazol-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one;7-tert-butylsulfonyl-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dimethylphenyl]heptan-2-one;7-tert-butylsulfonyl-1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(7-methyl-1-benzothiophen-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-[3-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one (CID 158069059) is 1-(1-benzothiophen-6-yl)-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-(4,7-dimethyl-1,3-benzothiazol-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one;7-tert-butylsulfonyl-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dimethylphenyl]heptan-2-one;7-tert-butylsulfonyl-1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(7-methyl-1-benzothiophen-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-[3-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one.
What is the SMILES notation for 1-(1-benzothiophen-6-yl)-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-(4,7-dimethyl-1,3-benzothiazol-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one;7-tert-butylsulfonyl-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dimethylphenyl]heptan-2-one;7-tert-butylsulfonyl-1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(7-methyl-1-benzothiophen-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-[3-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one?
The canonical SMILES for 1-(1-benzothiophen-6-yl)-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-(4,7-dimethyl-1,3-benzothiazol-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one;7-tert-butylsulfonyl-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dimethylphenyl]heptan-2-one;7-tert-butylsulfonyl-1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(7-methyl-1-benzothiophen-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-[3-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one is CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2ccsc2c1.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1cccc(C(F)(F)F)c1.CC1COc2ccc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)cc2O1.CC1c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)cc2C(C)C1C.Cc1c(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)ccc(C(F)(F)F)c1C.Cc1c(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)ccc2c1CCC2C.Cc1c(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)ccc2ccsc12.Cc1cc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)c(C)c2scnc12.Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)c(C)cc1CC(=O)CCCCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-(1-benzothiophen-6-yl)-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-(4,7-dimethyl-1,3-benzothiazol-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one;7-tert-butylsulfonyl-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dimethylphenyl]heptan-2-one;7-tert-butylsulfonyl-1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(7-methyl-1-benzothiophen-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-[3-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one?
The InChIKey is FLPFYOVLNFRSSH-ACRNKGKWSA-N. The full InChI is InChI=1S/C25H41NO4S.C23H36O3S.C22H34O3S.C20H29F3O3S.C20H29NO3S2.C20H30O5S.C20H28O3S2.C19H26O3S2.C18H25F3O3S/c1-18-14-24(26-16-20(3)30-21(4)17-26)19(2)13-22(18)15-23(27)11-9-8-10-12-31(28,29)25(5,6)7;1-16-17(2)21-12-11-19(15-22(21)18(16)3)14-20(24)10-8-7-9-13-27(25,26)23(4,5)6;1-16-10-12-21-17(2)18(11-13-20(16)21)15-19(23)9-7-6-8-14-26(24,25)22(3,4)5;1-14-15(2)18(20(21,22)23)11-10-16(14)13-17(24)9-7-6-8-12-27(25,26)19(3,4)5;1-14-11-16(15(2)19-18(14)21-13-25-19)12-17(22)9-7-6-8-10-26(23,24)20(3,4)5;1-15-14-24-18-10-9-16(13-19(18)25-15)12-17(21)8-6-5-7-11-26(22,23)20(2,3)4;1-15-17(10-9-16-11-12-24-19(15)16)14-18(21)8-6-5-7-13-25(22,23)20(2,3)4;1-19(2,3)24(21,22)12-6-4-5-7-17(20)13-15-8-9-16-10-11-23-18(16)14-15;1-17(2,3)25(23,24)11-6-4-5-10-16(22)13-14-8-7-9-15(12-14)18(19,20)21/h13-14,20-21H,8-12,15-17H2,1-7H3;11-12,15-18H,7-10,13-14H2,1-6H3;11,13,16H,6-10,12,14-15H2,1-5H3;10-11H,6-9,12-13H2,1-5H3;11,13H,6-10,12H2,1-5H3;9-10,13,15H,5-8,11-12,14H2,1-4H3;9-12H,5-8,13-14H2,1-4H3;8-11,14H,4-7,12-13H2,1-3H3;7-9,12H,4-6,10-11,13H2,1-3H3/t20-,21+;;;;;;;;.
What are the key properties of 1-(1-benzothiophen-6-yl)-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-(4,7-dimethyl-1,3-benzothiazol-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one;7-tert-butylsulfonyl-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dimethylphenyl]heptan-2-one;7-tert-butylsulfonyl-1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(7-methyl-1-benzothiophen-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-[3-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one?
1-(1-benzothiophen-6-yl)-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-(4,7-dimethyl-1,3-benzothiazol-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one;7-tert-butylsulfonyl-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dimethylphenyl]heptan-2-one;7-tert-butylsulfonyl-1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(7-methyl-1-benzothiophen-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-[3-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one has a molecular weight of 3533.06 g/mol, XLogP of 43.37, 73 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-6-yl)-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-(4,7-dimethyl-1,3-benzothiazol-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one;7-tert-butylsulfonyl-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dimethylphenyl]heptan-2-one;7-tert-butylsulfonyl-1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(7-methyl-1-benzothiophen-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)heptan-2-one;7-tert-butylsulfonyl-1-[3-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)heptan-2-one is sourced from PubChem (CID 158069059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).