2-(1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1-benzothiophen-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1,3-benzoxazol-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[4-oxo-4-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]butyl]benzenesulfonamide;3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-N-propan-2-ylbenzamide;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(pyridin-4-ylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

C138H196N12O28S10 — CID 157497519

IUPAC2-(1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1-benzothiophen-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1,3-benzoxazol-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[4-oxo-4-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]butyl]benzenesulfonamide;3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-N-propan-2-ylbenzamide;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(pyridin-4-ylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
SMILESCC(C)NC(=O)c1cccc(CC(=O)N2CCC(CS(=O)(=O)C(C)C)CC2)c1.CC(C)S(=O)(=O)CC1CCN(C(=O)CCCc2ccc(S(N)(=O)=O)cc2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(Cc3ccncc3)cc2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc3ncsc3c2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc3ocnc3c2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc3sccc3c2)CC1.COc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)C)CC2)cc(OC)c1OC
InChIInChI=1S/C23H30N2O3S.C21H32N2O4S.C20H31NO6S.C19H30N2O5S2.C19H25NO3S2.C18H24N2O4S.C18H24N2O3S2/c1-18(2)29(27,28)17-22-9-13-25(14-10-22)23(26)16-20-5-3-19(4-6-20)15-21-7-11-24-12-8-21;1-15(2)22-21(25)19-7-5-6-18(12-19)13-20(24)23-10-8-17(9-11-23)14-28(26,27)16(3)4;1-14(2)28(23,24)13-15-6-8-21(9-7-15)19(22)12-16-10-17(25-3)20(27-5)18(11-16)26-4;1-15(2)27(23,24)14-17-10-12-21(13-11-17)19(22)5-3-4-16-6-8-18(9-7-16)28(20,25)26;1-14(2)25(22,23)13-15-5-8-20(9-6-15)19(21)12-16-3-4-18-17(11-16)7-10-24-18;1-13(2)25(22,23)11-14-5-7-20(8-6-14)18(21)10-15-3-4-17-16(9-15)19-12-24-17;1-13(2)25(22,23)11-14-5-7-20(8-6-14)18(21)10-15-3-4-16-17(9-15)24-12-19-16/h3-8,11-12,18,22H,9-10,13-17H2,1-2H3;5-7,12,15-17H,8-11,13-14H2,1-4H3,(H,22,25);10-11,14-15H,6-9,12-13H2,1-5H3;6-9,15,17H,3-5,10-14H2,1-2H3,(H2,20,25,26);3-4,7,10-11,14-15H,5-6,8-9,12-13H2,1-2H3;2*3-4,9,12-14H,5-8,10-11H2,1-2H3
InChIKeyBXZWGWFVUCBHQJ-UHFFFAOYSA-N
MW2791.81 g/mol
LogP18.58
Rot. Bonds45

About 2-(1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1-benzothiophen-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1,3-benzoxazol-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[4-oxo-4-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]butyl]benzenesulfonamide;3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-N-propan-2-ylbenzamide;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(pyridin-4-ylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

2-(1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1-benzothiophen-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1,3-benzoxazol-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[4-oxo-4-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]butyl]benzenesulfonamide;3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-N-propan-2-ylbenzamide;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(pyridin-4-ylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone (PubChem CID 157497519) has the molecular formula C138H196N12O28S10 and a molecular weight of 2791.81 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1-benzothiophen-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1,3-benzoxazol-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[4-oxo-4-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]butyl]benzenesulfonamide;3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-N-propan-2-ylbenzamide;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(pyridin-4-ylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1-benzothiophen-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1,3-benzoxazol-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[4-oxo-4-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]butyl]benzenesulfonamide;3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-N-propan-2-ylbenzamide;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(pyridin-4-ylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
PubChem CID157497519
Molecular FormulaC138H196N12O28S10
Molecular Weight2791.81 g/mol
Exact Mass2789.15
IUPAC Name2-(1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1-benzothiophen-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1,3-benzoxazol-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[4-oxo-4-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]butyl]benzenesulfonamide;3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-N-propan-2-ylbenzamide;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(pyridin-4-ylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
SMILESCC(C)NC(=O)c1cccc(CC(=O)N2CCC(CS(=O)(=O)C(C)C)CC2)c1.CC(C)S(=O)(=O)CC1CCN(C(=O)CCCc2ccc(S(N)(=O)=O)cc2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(Cc3ccncc3)cc2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc3ncsc3c2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc3ocnc3c2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc3sccc3c2)CC1.COc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)C)CC2)cc(OC)c1OC
InChIInChI=1S/C23H30N2O3S.C21H32N2O4S.C20H31NO6S.C19H30N2O5S2.C19H25NO3S2.C18H24N2O4S.C18H24N2O3S2/c1-18(2)29(27,28)17-22-9-13-25(14-10-22)23(26)16-20-5-3-19(4-6-20)15-21-7-11-24-12-8-21;1-15(2)22-21(25)19-7-5-6-18(12-19)13-20(24)23-10-8-17(9-11-23)14-28(26,27)16(3)4;1-14(2)28(23,24)13-15-6-8-21(9-7-15)19(22)12-16-10-17(25-3)20(27-5)18(11-16)26-4;1-15(2)27(23,24)14-17-10-12-21(13-11-17)19(22)5-3-4-16-6-8-18(9-7-16)28(20,25)26;1-14(2)25(22,23)13-15-5-8-20(9-6-15)19(21)12-16-3-4-18-17(11-16)7-10-24-18;1-13(2)25(22,23)11-14-5-7-20(8-6-14)18(21)10-15-3-4-17-16(9-15)19-12-24-17;1-13(2)25(22,23)11-14-5-7-20(8-6-14)18(21)10-15-3-4-16-17(9-15)24-12-19-16/h3-8,11-12,18,22H,9-10,13-17H2,1-2H3;5-7,12,15-17H,8-11,13-14H2,1-4H3,(H,22,25);10-11,14-15H,6-9,12-13H2,1-5H3;6-9,15,17H,3-5,10-14H2,1-2H3,(H2,20,25,26);3-4,7,10-11,14-15H,5-6,8-9,12-13H2,1-2H3;2*3-4,9,12-14H,5-8,10-11H2,1-2H3
InChIKeyBXZWGWFVUCBHQJ-UHFFFAOYSA-N
XLogP18.58
TPSA549.91 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds45
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002791.81
LogP ≤ 518.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Analyze 2-(1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1-benzothiophen-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1,3-benzoxazol-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[4-oxo-4-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]butyl]benzenesulfonamide;3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-N-propan-2-ylbenzamide;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(pyridin-4-ylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone with MolForge

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Related Compounds

4-[4-[4-(Tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene
CID 157187046
2-(4-Fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 157434324
6-heptyl-1,3-benzothiazole;5-heptyl-1-benzothiophene;5-heptyl-2,3-dihydro-1H-indene;4-[(4-heptylphenyl)methyl]pyridine;3-heptyl-N-propan-2-ylbenzamide;1-heptyl-4-(trifluoromethyl)benzene;4-(4-oxononyl)benzenesulfonamide;heptakis(propane-2-sulfinate);5-(7-propan-2-ylsulfonylheptyl)-1,3-benzoxazole;1,2,3-trimethoxy-5-(7-propan-2-ylsulfonylheptyl)benzene
CID 157452083
2-(4-Fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;1-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene;bis(propane-2-sulfinate);4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1,2,3-trimethoxy-5-[2-(4-methylcyclohexyl)ethyl]benzene
CID 158304290
6-(7-Tert-butylsulfonylheptyl)-1,3-benzothiazole;5-(7-tert-butylsulfonylheptyl)-1-benzothiophene;5-(7-tert-butylsulfonylheptyl)-1,3-benzoxazole;1-(7-tert-butylsulfonylheptyl)-2-methyl-4-(trifluoromethyl)benzene;4-[[4-(7-tert-butylsulfonylheptyl)phenyl]methyl]pyridine;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethoxybenzene;4-(9-tert-butylsulfonylnonyl)benzenesulfonamide
CID 158595395
6-heptyl-1,3-benzothiazole;5-heptyl-1-benzothiophene;5-heptyl-1,3-benzoxazole;1-heptyl-2-methyl-4-(trifluoromethyl)benzene;4-[(4-heptylphenyl)methyl]pyridine;5-heptyl-1,2,3-trimethoxybenzene;4-nonylbenzenesulfonamide;heptakis(propane-2-sulfinate);N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzamide
CID 158650788
2-(4-Fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;2-methyl-1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 159100348
4-[4-[4-(Propan-2-ylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;4-[[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;1-(propan-2-ylsulfonylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene
CID 159489243
5-[2-[4-(Tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methyl]pyridine;2-methyl-1-[2-(4-methylphenyl)ethyl]-4-(trifluoromethyl)benzene;4-[4-(4-methylphenyl)butyl]benzenesulfonamide;tris(2-methylpropane-2-sulfinate);1,2,3-trimethoxy-5-[2-(4-methylphenyl)ethyl]benzene
CID 160154355
2-(1,3-Benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(1-benzothiophen-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(1,3-benzoxazol-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[2-methyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;4-[4-oxo-4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(pyridin-3-ylmethyl)phenyl]ethanol;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 160196915
4-(4-oxo-9-propan-2-ylsulfonylnonyl)benzenesulfonamide;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzamide;6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;5-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;5-(7-propan-2-ylsulfonylheptyl)-1,3-benzoxazole;5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene;4-[[4-(7-propan-2-ylsulfonylheptyl)phenyl]methyl]pyridine;1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-(7-propan-2-ylsulfonylheptyl)benzene
CID 161320918
2-Methyl-1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;4-[[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]methyl]pyridine;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 161922689

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1-benzothiophen-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1,3-benzoxazol-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[4-oxo-4-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]butyl]benzenesulfonamide;3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-N-propan-2-ylbenzamide;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(pyridin-4-ylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
The IUPAC name of 2-(1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1-benzothiophen-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1,3-benzoxazol-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[4-oxo-4-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]butyl]benzenesulfonamide;3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-N-propan-2-ylbenzamide;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(pyridin-4-ylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone (CID 157497519) is 2-(1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1-benzothiophen-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1,3-benzoxazol-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[4-oxo-4-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]butyl]benzenesulfonamide;3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-N-propan-2-ylbenzamide;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(pyridin-4-ylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1-benzothiophen-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1,3-benzoxazol-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[4-oxo-4-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]butyl]benzenesulfonamide;3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-N-propan-2-ylbenzamide;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(pyridin-4-ylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
The canonical SMILES for 2-(1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1-benzothiophen-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1,3-benzoxazol-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[4-oxo-4-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]butyl]benzenesulfonamide;3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-N-propan-2-ylbenzamide;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(pyridin-4-ylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone is CC(C)NC(=O)c1cccc(CC(=O)N2CCC(CS(=O)(=O)C(C)C)CC2)c1.CC(C)S(=O)(=O)CC1CCN(C(=O)CCCc2ccc(S(N)(=O)=O)cc2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(Cc3ccncc3)cc2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc3ncsc3c2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc3ocnc3c2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc3sccc3c2)CC1.COc1cc(CC(=O)N2CCC(CS(=O)(=O)C(C)C)CC2)cc(OC)c1OC.
What is the InChIKey of 2-(1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1-benzothiophen-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1,3-benzoxazol-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[4-oxo-4-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]butyl]benzenesulfonamide;3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-N-propan-2-ylbenzamide;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(pyridin-4-ylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
The InChIKey is BXZWGWFVUCBHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S.C21H32N2O4S.C20H31NO6S.C19H30N2O5S2.C19H25NO3S2.C18H24N2O4S.C18H24N2O3S2/c1-18(2)29(27,28)17-22-9-13-25(14-10-22)23(26)16-20-5-3-19(4-6-20)15-21-7-11-24-12-8-21;1-15(2)22-21(25)19-7-5-6-18(12-19)13-20(24)23-10-8-17(9-11-23)14-28(26,27)16(3)4;1-14(2)28(23,24)13-15-6-8-21(9-7-15)19(22)12-16-10-17(25-3)20(27-5)18(11-16)26-4;1-15(2)27(23,24)14-17-10-12-21(13-11-17)19(22)5-3-4-16-6-8-18(9-7-16)28(20,25)26;1-14(2)25(22,23)13-15-5-8-20(9-6-15)19(21)12-16-3-4-18-17(11-16)7-10-24-18;1-13(2)25(22,23)11-14-5-7-20(8-6-14)18(21)10-15-3-4-17-16(9-15)19-12-24-17;1-13(2)25(22,23)11-14-5-7-20(8-6-14)18(21)10-15-3-4-16-17(9-15)24-12-19-16/h3-8,11-12,18,22H,9-10,13-17H2,1-2H3;5-7,12,15-17H,8-11,13-14H2,1-4H3,(H,22,25);10-11,14-15H,6-9,12-13H2,1-5H3;6-9,15,17H,3-5,10-14H2,1-2H3,(H2,20,25,26);3-4,7,10-11,14-15H,5-6,8-9,12-13H2,1-2H3;2*3-4,9,12-14H,5-8,10-11H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1-benzothiophen-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1,3-benzoxazol-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[4-oxo-4-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]butyl]benzenesulfonamide;3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-N-propan-2-ylbenzamide;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(pyridin-4-ylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
2-(1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1-benzothiophen-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1,3-benzoxazol-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[4-oxo-4-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]butyl]benzenesulfonamide;3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-N-propan-2-ylbenzamide;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(pyridin-4-ylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone has a molecular weight of 2791.81 g/mol, XLogP of 18.58, 45 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1-benzothiophen-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1,3-benzoxazol-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[4-oxo-4-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]butyl]benzenesulfonamide;3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-N-propan-2-ylbenzamide;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(pyridin-4-ylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone is sourced from PubChem (CID 157497519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).