2-acridin-9-yl-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-[(2,6-dichlorophenyl)methylsulfanyl]butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[2-(2,4-difluorophenoxy)-3-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(3,4-dimethoxyphenyl)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(N-ethylanilino)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)-1H-pyrazol-5-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-5-morpholin-4-ylpentan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethanone;dimethyl 4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]thiophene-2,3-dicarboxylate

C230H324Cl2F2N8O40S14 — CID 159068750

IUPAC2-acridin-9-yl-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-[(2,6-dichlorophenyl)methylsulfanyl]butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[2-(2,4-difluorophenoxy)-3-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(3,4-dimethoxyphenyl)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(N-ethylanilino)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)-1H-pyrazol-5-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-5-morpholin-4-ylpentan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethanone;dimethyl 4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]thiophene-2,3-dicarboxylate
SMILESCC(C)(C)S(=O)(=O)CC1CCC(C(=O)CCCCN2CCOCC2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)CCCSCc2c(Cl)cccc2Cl)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2c3ccccc3nc3ccccc23)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cc(-c3ccco3)n[nH]2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cccnc2Oc2ccc(F)cc2F)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2nc(-c3cccc4ccccc34)cs2)CC1.CCN(CCCC(=O)C1CCC(CS(=O)(=O)C(C)(C)C)CC1)c1ccccc1.COC(=O)c1scc(CC(=O)C2CCC(CS(=O)(=O)C(C)(C)C)CC2)c1C(=O)OC.COc1ccc(CC(=O)C2CCC(CS(=O)(=O)C(C)(C)C)CC2)c(Sc2ccccc2)n1.COc1ccc(CCCC(=O)C2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1OC
InChIInChI=1S/C26H31NO3S2.C26H31NO3S.C25H33NO4S2.C24H29F2NO4S.C23H37NO3S.C23H36O5S.C22H32Cl2O3S2.C21H30O7S2.C20H28N2O4S.C20H37NO4S/c1-26(2,3)32(29,30)17-18-11-13-20(14-12-18)24(28)15-25-27-23(16-31-25)22-10-6-8-19-7-4-5-9-21(19)22;1-26(2,3)31(29,30)17-18-12-14-19(15-13-18)25(28)16-22-20-8-4-6-10-23(20)27-24-11-7-5-9-21(22)24;1-25(2,3)32(28,29)17-18-10-12-19(13-11-18)22(27)16-20-14-15-23(30-4)26-24(20)31-21-8-6-5-7-9-21;1-24(2,3)32(29,30)15-16-6-8-17(9-7-16)21(28)13-18-5-4-12-27-23(18)31-22-11-10-19(25)14-20(22)26;1-5-24(21-10-7-6-8-11-21)17-9-12-22(25)20-15-13-19(14-16-20)18-28(26,27)23(2,3)4;1-23(2,3)29(25,26)16-18-9-12-19(13-10-18)20(24)8-6-7-17-11-14-21(27-4)22(15-17)28-5;1-22(2,3)29(26,27)15-16-9-11-17(12-10-16)21(25)8-5-13-28-14-18-19(23)6-4-7-20(18)24;1-21(2,3)30(25,26)12-13-6-8-14(9-7-13)16(22)10-15-11-29-18(20(24)28-5)17(15)19(23)27-4;1-20(2,3)27(24,25)13-14-6-8-15(9-7-14)18(23)12-16-11-17(22-21-16)19-5-4-10-26-19;1-20(2,3)26(23,24)16-17-7-9-18(10-8-17)19(22)6-4-5-11-21-12-14-25-15-13-21/h4-10,16,18,20H,11-15,17H2,1-3H3;4-11,18-19H,12-17H2,1-3H3;5-9,14-15,18-19H,10-13,16-17H2,1-4H3;4-5,10-12,14,16-17H,6-9,13,15H2,1-3H3;6-8,10-11,19-20H,5,9,12-18H2,1-4H3;11,14-15,18-19H,6-10,12-13,16H2,1-5H3;4,6-7,16-17H,5,8-15H2,1-3H3;11,13-14H,6-10,12H2,1-5H3;4-5,10-11,14-15H,6-9,12-13H2,1-3H3,(H,21,22);17-18H,4-16H2,1-3H3
InChIKeyJZJMIQOBXJMJOX-UHFFFAOYSA-N
MW4398.98 g/mol
LogP48.69
Rot. Bonds74

About 2-acridin-9-yl-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-[(2,6-dichlorophenyl)methylsulfanyl]butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[2-(2,4-difluorophenoxy)-3-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(3,4-dimethoxyphenyl)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(N-ethylanilino)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)-1H-pyrazol-5-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-5-morpholin-4-ylpentan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethanone;dimethyl 4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]thiophene-2,3-dicarboxylate

2-acridin-9-yl-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-[(2,6-dichlorophenyl)methylsulfanyl]butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[2-(2,4-difluorophenoxy)-3-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(3,4-dimethoxyphenyl)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(N-ethylanilino)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)-1H-pyrazol-5-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-5-morpholin-4-ylpentan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethanone;dimethyl 4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]thiophene-2,3-dicarboxylate (PubChem CID 159068750) has the molecular formula C230H324Cl2F2N8O40S14 and a molecular weight of 4398.98 g/mol. Its IUPAC name is 2-acridin-9-yl-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-[(2,6-dichlorophenyl)methylsulfanyl]butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[2-(2,4-difluorophenoxy)-3-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(3,4-dimethoxyphenyl)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(N-ethylanilino)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)-1H-pyrazol-5-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-5-morpholin-4-ylpentan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethanone;dimethyl 4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]thiophene-2,3-dicarboxylate.

Molecular Properties

Compound Name2-acridin-9-yl-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-[(2,6-dichlorophenyl)methylsulfanyl]butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[2-(2,4-difluorophenoxy)-3-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(3,4-dimethoxyphenyl)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(N-ethylanilino)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)-1H-pyrazol-5-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-5-morpholin-4-ylpentan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethanone;dimethyl 4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]thiophene-2,3-dicarboxylate
PubChem CID159068750
Molecular FormulaC230H324Cl2F2N8O40S14
Molecular Weight4398.98 g/mol
Exact Mass4393.90
IUPAC Name2-acridin-9-yl-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-[(2,6-dichlorophenyl)methylsulfanyl]butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[2-(2,4-difluorophenoxy)-3-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(3,4-dimethoxyphenyl)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(N-ethylanilino)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)-1H-pyrazol-5-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-5-morpholin-4-ylpentan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethanone;dimethyl 4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]thiophene-2,3-dicarboxylate
SMILESCC(C)(C)S(=O)(=O)CC1CCC(C(=O)CCCCN2CCOCC2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)CCCSCc2c(Cl)cccc2Cl)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2c3ccccc3nc3ccccc23)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cc(-c3ccco3)n[nH]2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cccnc2Oc2ccc(F)cc2F)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2nc(-c3cccc4ccccc34)cs2)CC1.CCN(CCCC(=O)C1CCC(CS(=O)(=O)C(C)(C)C)CC1)c1ccccc1.COC(=O)c1scc(CC(=O)C2CCC(CS(=O)(=O)C(C)(C)C)CC2)c1C(=O)OC.COc1ccc(CC(=O)C2CCC(CS(=O)(=O)C(C)(C)C)CC2)c(Sc2ccccc2)n1.COc1ccc(CCCC(=O)C2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1OC
InChIInChI=1S/C26H31NO3S2.C26H31NO3S.C25H33NO4S2.C24H29F2NO4S.C23H37NO3S.C23H36O5S.C22H32Cl2O3S2.C21H30O7S2.C20H28N2O4S.C20H37NO4S/c1-26(2,3)32(29,30)17-18-11-13-20(14-12-18)24(28)15-25-27-23(16-31-25)22-10-6-8-19-7-4-5-9-21(19)22;1-26(2,3)31(29,30)17-18-12-14-19(15-13-18)25(28)16-22-20-8-4-6-10-23(20)27-24-11-7-5-9-21(22)24;1-25(2,3)32(28,29)17-18-10-12-19(13-11-18)22(27)16-20-14-15-23(30-4)26-24(20)31-21-8-6-5-7-9-21;1-24(2,3)32(29,30)15-16-6-8-17(9-7-16)21(28)13-18-5-4-12-27-23(18)31-22-11-10-19(25)14-20(22)26;1-5-24(21-10-7-6-8-11-21)17-9-12-22(25)20-15-13-19(14-16-20)18-28(26,27)23(2,3)4;1-23(2,3)29(25,26)16-18-9-12-19(13-10-18)20(24)8-6-7-17-11-14-21(27-4)22(15-17)28-5;1-22(2,3)29(26,27)15-16-9-11-17(12-10-16)21(25)8-5-13-28-14-18-19(23)6-4-7-20(18)24;1-21(2,3)30(25,26)12-13-6-8-14(9-7-13)16(22)10-15-11-29-18(20(24)28-5)17(15)19(23)27-4;1-20(2,3)27(24,25)13-14-6-8-15(9-7-14)18(23)12-16-11-17(22-21-16)19-5-4-10-26-19;1-20(2,3)26(23,24)16-17-7-9-18(10-8-17)19(22)6-4-5-11-21-12-14-25-15-13-21/h4-10,16,18,20H,11-15,17H2,1-3H3;4-11,18-19H,12-17H2,1-3H3;5-9,14-15,18-19H,10-13,16-17H2,1-4H3;4-5,10-12,14,16-17H,6-9,13,15H2,1-3H3;6-8,10-11,19-20H,5,9,12-18H2,1-4H3;11,14-15,18-19H,6-10,12-13,16H2,1-5H3;4,6-7,16-17H,5,8-15H2,1-3H3;11,13-14H,6-10,12H2,1-5H3;4-5,10-11,14-15H,6-9,12-13H2,1-3H3,(H,21,22);17-18H,4-16H2,1-3H3
InChIKeyJZJMIQOBXJMJOX-UHFFFAOYSA-N
XLogP48.69
TPSA710.71 Ų
H-Bond Donors1
H-Bond Acceptors51
Rotatable Bonds74
Heavy Atoms296
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004398.98
LogP ≤ 548.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1051

Analyze 2-acridin-9-yl-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-[(2,6-dichlorophenyl)methylsulfanyl]butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[2-(2,4-difluorophenoxy)-3-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(3,4-dimethoxyphenyl)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(N-ethylanilino)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)-1H-pyrazol-5-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-5-morpholin-4-ylpentan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethanone;dimethyl 4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]thiophene-2,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 160832062
CID 160832062
4-[4-[4-(tert-butylsulfonylmethyl)cyclohexyl]butyl]-1,2-dimethoxybenzene;N-[4-[4-(tert-butylsulfonylmethyl)cyclohexyl]butyl]-N-ethylaniline;2-[4-[4-(tert-butylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]-1-chloro-3-fluorobenzene;2-[4-[4-(tert-butylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]-1,3-dichlorobenzene;4-[4-[4-(tert-butylsulfonylmethyl)cyclohexyl]butylsulfanyl]-2-(trifluoromethyl)quinoline;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-(furan-2-yl)-1H-pyrazole;4-[5-[4-(tert-butylsulfonylmethyl)cyclohexyl]pentyl]morpholine
CID 161832311
CID 157171371
CID 157171371
4-[4-[4-(tert-butylsulfonylmethyl)cyclohexyl]butyl]-1,2-dimethoxybenzene;N-[4-[4-(tert-butylsulfonylmethyl)cyclohexyl]butyl]-N-ethylaniline;2-[4-[4-(tert-butylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]-1-chloro-3-fluorobenzene;2-[4-[4-(tert-butylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]-1,3-dichlorobenzene;9-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]acridine;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-(furan-2-yl)-1H-pyrazole;4-[5-[4-(tert-butylsulfonylmethyl)cyclohexyl]pentyl]morpholine
CID 157667813
4-decylmorpholine;2-(2,4-difluorophenoxy)-3-heptylpyridine;1,2-dimethoxy-4-nonylbenzene;dimethyl 4-heptylthiophene-2,3-dicarboxylate;N-ethyl-N-nonylaniline;3-(furan-2-yl)-5-heptyl-1H-pyrazole;9-heptylacridine;heptakis(propane-2-thiol);tetradecahydrate
CID 158284000
1-acridin-9-yl-7-tert-butylsulfonylheptan-2-one;7-tert-butylsulfonyl-1-[2-(2,4-difluorophenoxy)-3-pyridinyl]heptan-2-one;9-tert-butylsulfonyl-1-(3,4-dimethoxyphenyl)nonan-4-one;7-tert-butylsulfonyl-1-[3-(furan-2-yl)-1H-pyrazol-5-yl]heptan-2-one;7-tert-butylsulfonyl-1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)heptan-2-one;dimethyl 4-(7-tert-butylsulfonyl-2-oxoheptyl)thiophene-2,3-dicarboxylate
CID 158546963
1-chloro-3-fluoro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,3-dichloro-2-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butylsulfanylmethyl]benzene;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine
CID 158691477
4-decylmorpholine;2-(2,4-difluorophenoxy)-3-heptylpyridine;1,2-dimethoxy-4-nonylbenzene;dimethyl 4-heptylthiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-heptyl-1H-pyrazole;9-heptylacridine;hexakis(2-methylpropane-2-thiol);dodecahydrate
CID 159209786
2-(2,4-difluorophenoxy)-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]pyridine;1,2-dimethoxy-4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzene;dimethyl 4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;N-ethyl-N-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]aniline;3-(furan-2-yl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1H-pyrazole;9-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]acridine;4-[5-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]pentyl]morpholine
CID 159214793
2-(2,4-difluorophenoxy)-3-[2-(4-methylcyclohexyl)ethyl]pyridine;dimethyl 4-[2-(4-methylcyclohexyl)ethyl]thiophene-2,3-dicarboxylate;3-(furan-2-yl)-5-[2-(4-methylcyclohexyl)ethyl]-1H-pyrazole;6-methoxy-3-[2-(4-methylcyclohexyl)ethyl]-2-phenylsulfanylpyridine;9-[2-(4-methylcyclohexyl)ethyl]acridine;2-[2-(4-methylcyclohexyl)ethyl]-4-naphthalen-1-yl-1,3-thiazole;hexakis(propane-2-thiol);dodecahydrate
CID 159225107
2-acridin-9-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[2-(2,4-difluorophenoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;4-(3,4-dimethoxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butan-1-one;dimethyl 4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;2-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone
CID 159444045
1-acridin-9-yl-7-propan-2-ylsulfonylheptan-2-one;1-[2-(2,4-difluorophenoxy)-3-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-(3,4-dimethoxyphenyl)-9-propan-2-ylsulfonylnonan-4-one;dimethyl 4-(2-oxo-7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;1-[3-(furan-2-yl)-1H-pyrazol-5-yl]-7-propan-2-ylsulfonylheptan-2-one;1-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-7-propan-2-ylsulfonylheptan-2-one
CID 159485887

Frequently Asked Questions

What is the IUPAC name of 2-acridin-9-yl-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-[(2,6-dichlorophenyl)methylsulfanyl]butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[2-(2,4-difluorophenoxy)-3-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(3,4-dimethoxyphenyl)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(N-ethylanilino)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)-1H-pyrazol-5-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-5-morpholin-4-ylpentan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethanone;dimethyl 4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]thiophene-2,3-dicarboxylate?
The IUPAC name of 2-acridin-9-yl-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-[(2,6-dichlorophenyl)methylsulfanyl]butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[2-(2,4-difluorophenoxy)-3-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(3,4-dimethoxyphenyl)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(N-ethylanilino)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)-1H-pyrazol-5-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-5-morpholin-4-ylpentan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethanone;dimethyl 4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]thiophene-2,3-dicarboxylate (CID 159068750) is 2-acridin-9-yl-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-[(2,6-dichlorophenyl)methylsulfanyl]butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[2-(2,4-difluorophenoxy)-3-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(3,4-dimethoxyphenyl)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(N-ethylanilino)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)-1H-pyrazol-5-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-5-morpholin-4-ylpentan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethanone;dimethyl 4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]thiophene-2,3-dicarboxylate.
What is the SMILES notation for 2-acridin-9-yl-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-[(2,6-dichlorophenyl)methylsulfanyl]butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[2-(2,4-difluorophenoxy)-3-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(3,4-dimethoxyphenyl)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(N-ethylanilino)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)-1H-pyrazol-5-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-5-morpholin-4-ylpentan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethanone;dimethyl 4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]thiophene-2,3-dicarboxylate?
The canonical SMILES for 2-acridin-9-yl-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-[(2,6-dichlorophenyl)methylsulfanyl]butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[2-(2,4-difluorophenoxy)-3-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(3,4-dimethoxyphenyl)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(N-ethylanilino)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)-1H-pyrazol-5-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-5-morpholin-4-ylpentan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethanone;dimethyl 4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]thiophene-2,3-dicarboxylate is CC(C)(C)S(=O)(=O)CC1CCC(C(=O)CCCCN2CCOCC2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)CCCSCc2c(Cl)cccc2Cl)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2c3ccccc3nc3ccccc23)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cc(-c3ccco3)n[nH]2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cccnc2Oc2ccc(F)cc2F)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2nc(-c3cccc4ccccc34)cs2)CC1.CCN(CCCC(=O)C1CCC(CS(=O)(=O)C(C)(C)C)CC1)c1ccccc1.COC(=O)c1scc(CC(=O)C2CCC(CS(=O)(=O)C(C)(C)C)CC2)c1C(=O)OC.COc1ccc(CC(=O)C2CCC(CS(=O)(=O)C(C)(C)C)CC2)c(Sc2ccccc2)n1.COc1ccc(CCCC(=O)C2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1OC.
What is the InChIKey of 2-acridin-9-yl-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-[(2,6-dichlorophenyl)methylsulfanyl]butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[2-(2,4-difluorophenoxy)-3-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(3,4-dimethoxyphenyl)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(N-ethylanilino)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)-1H-pyrazol-5-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-5-morpholin-4-ylpentan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethanone;dimethyl 4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]thiophene-2,3-dicarboxylate?
The InChIKey is JZJMIQOBXJMJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO3S2.C26H31NO3S.C25H33NO4S2.C24H29F2NO4S.C23H37NO3S.C23H36O5S.C22H32Cl2O3S2.C21H30O7S2.C20H28N2O4S.C20H37NO4S/c1-26(2,3)32(29,30)17-18-11-13-20(14-12-18)24(28)15-25-27-23(16-31-25)22-10-6-8-19-7-4-5-9-21(19)22;1-26(2,3)31(29,30)17-18-12-14-19(15-13-18)25(28)16-22-20-8-4-6-10-23(20)27-24-11-7-5-9-21(22)24;1-25(2,3)32(28,29)17-18-10-12-19(13-11-18)22(27)16-20-14-15-23(30-4)26-24(20)31-21-8-6-5-7-9-21;1-24(2,3)32(29,30)15-16-6-8-17(9-7-16)21(28)13-18-5-4-12-27-23(18)31-22-11-10-19(25)14-20(22)26;1-5-24(21-10-7-6-8-11-21)17-9-12-22(25)20-15-13-19(14-16-20)18-28(26,27)23(2,3)4;1-23(2,3)29(25,26)16-18-9-12-19(13-10-18)20(24)8-6-7-17-11-14-21(27-4)22(15-17)28-5;1-22(2,3)29(26,27)15-16-9-11-17(12-10-16)21(25)8-5-13-28-14-18-19(23)6-4-7-20(18)24;1-21(2,3)30(25,26)12-13-6-8-14(9-7-13)16(22)10-15-11-29-18(20(24)28-5)17(15)19(23)27-4;1-20(2,3)27(24,25)13-14-6-8-15(9-7-14)18(23)12-16-11-17(22-21-16)19-5-4-10-26-19;1-20(2,3)26(23,24)16-17-7-9-18(10-8-17)19(22)6-4-5-11-21-12-14-25-15-13-21/h4-10,16,18,20H,11-15,17H2,1-3H3;4-11,18-19H,12-17H2,1-3H3;5-9,14-15,18-19H,10-13,16-17H2,1-4H3;4-5,10-12,14,16-17H,6-9,13,15H2,1-3H3;6-8,10-11,19-20H,5,9,12-18H2,1-4H3;11,14-15,18-19H,6-10,12-13,16H2,1-5H3;4,6-7,16-17H,5,8-15H2,1-3H3;11,13-14H,6-10,12H2,1-5H3;4-5,10-11,14-15H,6-9,12-13H2,1-3H3,(H,21,22);17-18H,4-16H2,1-3H3.
What are the key properties of 2-acridin-9-yl-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-[(2,6-dichlorophenyl)methylsulfanyl]butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[2-(2,4-difluorophenoxy)-3-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(3,4-dimethoxyphenyl)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(N-ethylanilino)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)-1H-pyrazol-5-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-5-morpholin-4-ylpentan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethanone;dimethyl 4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]thiophene-2,3-dicarboxylate?
2-acridin-9-yl-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-[(2,6-dichlorophenyl)methylsulfanyl]butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[2-(2,4-difluorophenoxy)-3-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(3,4-dimethoxyphenyl)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(N-ethylanilino)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)-1H-pyrazol-5-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-5-morpholin-4-ylpentan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethanone;dimethyl 4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]thiophene-2,3-dicarboxylate has a molecular weight of 4398.98 g/mol, XLogP of 48.69, 74 rotatable bonds, 1 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acridin-9-yl-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-[(2,6-dichlorophenyl)methylsulfanyl]butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[2-(2,4-difluorophenoxy)-3-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(3,4-dimethoxyphenyl)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-4-(N-ethylanilino)butan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)-1H-pyrazol-5-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-5-morpholin-4-ylpentan-1-one;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethanone;dimethyl 4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]thiophene-2,3-dicarboxylate is sourced from PubChem (CID 159068750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).