5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-(2-methylpropyl)isoindole-1,3-dione;7-(7-tert-butylsulfonyl-2-oxoheptyl)-4-methylchromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-(2-methylpropyl)isoindole-1,3-dione;4-methyl-7-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;4-methyl-7-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;2-(2-methylpropyl)-5-(2-oxo-7-propan-2-ylsulfonylheptyl)isoindole-1,3-dione;2-(2-methylpropyl)-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]isoindole-1,3-dione

C157H214N4O35S7 — CID 157188721

IUPAC5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-(2-methylpropyl)isoindole-1,3-dione;7-(7-tert-butylsulfonyl-2-oxoheptyl)-4-methylchromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-(2-methylpropyl)isoindole-1,3-dione;4-methyl-7-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;4-methyl-7-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;2-(2-methylpropyl)-5-(2-oxo-7-propan-2-ylsulfonylheptyl)isoindole-1,3-dione;2-(2-methylpropyl)-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]isoindole-1,3-dione
SMILESCC(C)CN1C(=O)c2ccc(CC(=O)C3CCC(CS(=O)(=O)C(C)(C)C)CC3)cc2C1=O.CC(C)CN1C(=O)c2ccc(CC(=O)C3CCC(CS(=O)(=O)C(C)C)CC3)cc2C1=O.CC(C)CN1C(=O)c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)cc2C1=O.CC(C)CN1C(=O)c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc2C1=O.Cc1cc(=O)oc2cc(CC(=O)C3CCC(CS(=O)(=O)C(C)C)CC3)ccc12.Cc1cc(=O)oc2cc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)ccc12.Cc1cc(=O)oc2cc(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc12
InChIInChI=1S/C25H35NO5S.C24H33NO5S.C23H33NO5S.C22H31NO5S.C22H28O5S.C21H28O5S.C20H26O5S/c1-16(2)14-26-23(28)20-11-8-18(12-21(20)24(26)29)13-22(27)19-9-6-17(7-10-19)15-32(30,31)25(3,4)5;1-15(2)13-25-23(27)20-10-7-18(11-21(20)24(25)28)12-22(26)19-8-5-17(6-9-19)14-31(29,30)16(3)4;1-16(2)15-24-21(26)19-11-10-17(14-20(19)22(24)27)13-18(25)9-7-6-8-12-30(28,29)23(3,4)5;1-15(2)14-23-21(25)19-10-9-17(13-20(19)22(23)26)12-18(24)8-6-5-7-11-29(27,28)16(3)4;1-14(2)28(25,26)13-16-4-7-18(8-5-16)20(23)11-17-6-9-19-15(3)10-22(24)27-21(19)12-17;1-15-12-20(23)26-19-14-16(9-10-18(15)19)13-17(22)8-6-5-7-11-27(24,25)21(2,3)4;1-14(2)26(23,24)10-6-4-5-7-17(21)12-16-8-9-18-15(3)11-20(22)25-19(18)13-16/h8,11-12,16-17,19H,6-7,9-10,13-15H2,1-5H3;7,10-11,15-17,19H,5-6,8-9,12-14H2,1-4H3;10-11,14,16H,6-9,12-13,15H2,1-5H3;9-10,13,15-16H,5-8,11-12,14H2,1-4H3;6,9-10,12,14,16,18H,4-5,7-8,11,13H2,1-3H3;9-10,12,14H,5-8,11,13H2,1-4H3;8-9,11,13-14H,4-7,10,12H2,1-3H3
InChIKeyAPLAMTYFXARTGE-UHFFFAOYSA-N
MW2941.90 g/mol
LogP26.43
Rot. Bonds59

About 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-(2-methylpropyl)isoindole-1,3-dione;7-(7-tert-butylsulfonyl-2-oxoheptyl)-4-methylchromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-(2-methylpropyl)isoindole-1,3-dione;4-methyl-7-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;4-methyl-7-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;2-(2-methylpropyl)-5-(2-oxo-7-propan-2-ylsulfonylheptyl)isoindole-1,3-dione;2-(2-methylpropyl)-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]isoindole-1,3-dione

5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-(2-methylpropyl)isoindole-1,3-dione;7-(7-tert-butylsulfonyl-2-oxoheptyl)-4-methylchromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-(2-methylpropyl)isoindole-1,3-dione;4-methyl-7-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;4-methyl-7-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;2-(2-methylpropyl)-5-(2-oxo-7-propan-2-ylsulfonylheptyl)isoindole-1,3-dione;2-(2-methylpropyl)-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]isoindole-1,3-dione (PubChem CID 157188721) has the molecular formula C157H214N4O35S7 and a molecular weight of 2941.90 g/mol. Its IUPAC name is 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-(2-methylpropyl)isoindole-1,3-dione;7-(7-tert-butylsulfonyl-2-oxoheptyl)-4-methylchromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-(2-methylpropyl)isoindole-1,3-dione;4-methyl-7-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;4-methyl-7-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;2-(2-methylpropyl)-5-(2-oxo-7-propan-2-ylsulfonylheptyl)isoindole-1,3-dione;2-(2-methylpropyl)-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-(2-methylpropyl)isoindole-1,3-dione;7-(7-tert-butylsulfonyl-2-oxoheptyl)-4-methylchromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-(2-methylpropyl)isoindole-1,3-dione;4-methyl-7-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;4-methyl-7-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;2-(2-methylpropyl)-5-(2-oxo-7-propan-2-ylsulfonylheptyl)isoindole-1,3-dione;2-(2-methylpropyl)-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]isoindole-1,3-dione
PubChem CID157188721
Molecular FormulaC157H214N4O35S7
Molecular Weight2941.90 g/mol
Exact Mass2939.31
IUPAC Name5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-(2-methylpropyl)isoindole-1,3-dione;7-(7-tert-butylsulfonyl-2-oxoheptyl)-4-methylchromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-(2-methylpropyl)isoindole-1,3-dione;4-methyl-7-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;4-methyl-7-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;2-(2-methylpropyl)-5-(2-oxo-7-propan-2-ylsulfonylheptyl)isoindole-1,3-dione;2-(2-methylpropyl)-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]isoindole-1,3-dione
SMILESCC(C)CN1C(=O)c2ccc(CC(=O)C3CCC(CS(=O)(=O)C(C)(C)C)CC3)cc2C1=O.CC(C)CN1C(=O)c2ccc(CC(=O)C3CCC(CS(=O)(=O)C(C)C)CC3)cc2C1=O.CC(C)CN1C(=O)c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)cc2C1=O.CC(C)CN1C(=O)c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc2C1=O.Cc1cc(=O)oc2cc(CC(=O)C3CCC(CS(=O)(=O)C(C)C)CC3)ccc12.Cc1cc(=O)oc2cc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)ccc12.Cc1cc(=O)oc2cc(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc12
InChIInChI=1S/C25H35NO5S.C24H33NO5S.C23H33NO5S.C22H31NO5S.C22H28O5S.C21H28O5S.C20H26O5S/c1-16(2)14-26-23(28)20-11-8-18(12-21(20)24(26)29)13-22(27)19-9-6-17(7-10-19)15-32(30,31)25(3,4)5;1-15(2)13-25-23(27)20-10-7-18(11-21(20)24(25)28)12-22(26)19-8-5-17(6-9-19)14-31(29,30)16(3)4;1-16(2)15-24-21(26)19-11-10-17(14-20(19)22(24)27)13-18(25)9-7-6-8-12-30(28,29)23(3,4)5;1-15(2)14-23-21(25)19-10-9-17(13-20(19)22(23)26)12-18(24)8-6-5-7-11-29(27,28)16(3)4;1-14(2)28(25,26)13-16-4-7-18(8-5-16)20(23)11-17-6-9-19-15(3)10-22(24)27-21(19)12-17;1-15-12-20(23)26-19-14-16(9-10-18(15)19)13-17(22)8-6-5-7-11-27(24,25)21(2,3)4;1-14(2)26(23,24)10-6-4-5-7-17(21)12-16-8-9-18-15(3)11-20(22)25-19(18)13-16/h8,11-12,16-17,19H,6-7,9-10,13-15H2,1-5H3;7,10-11,15-17,19H,5-6,8-9,12-14H2,1-4H3;10-11,14,16H,6-9,12-13,15H2,1-5H3;9-10,13,15-16H,5-8,11-12,14H2,1-4H3;6,9-10,12,14,16,18H,4-5,7-8,11,13H2,1-3H3;9-10,12,14H,5-8,11,13H2,1-4H3;8-9,11,13-14H,4-7,10,12H2,1-3H3
InChIKeyAPLAMTYFXARTGE-UHFFFAOYSA-N
XLogP26.43
TPSA598.62 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds59
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002941.90
LogP ≤ 526.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-(2-methylpropyl)isoindole-1,3-dione;7-(7-tert-butylsulfonyl-2-oxoheptyl)-4-methylchromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-(2-methylpropyl)isoindole-1,3-dione;4-methyl-7-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;4-methyl-7-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;2-(2-methylpropyl)-5-(2-oxo-7-propan-2-ylsulfonylheptyl)isoindole-1,3-dione;2-(2-methylpropyl)-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]isoindole-1,3-dione with MolForge

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Related Compounds

5-[4-[4-(1,3-Dioxo-2-propylisoindol-5-yl)phenoxy]phenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfanylphenyl]-2-methylisoindole-1,3-dione;5-[4-[4-(1,3-dioxo-2-propylisoindol-5-yl)phenyl]sulfonylphenyl]-2-methylisoindole-1,3-dione;5-[3-(1,3-dioxo-2-propylisoindol-5-yl)propyl]-2-methylisoindole-1,3-dione
CID 158514386
4-[3-[2-[4-(Tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol;5-[2-(4-methylcyclohexyl)ethyl]-2-(2-methylpropyl)isoindole-1,3-dione;4-[3-[2-(4-methylcyclohexyl)ethyl]phenyl]oxane;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]oxane;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]oxan-4-ol;tris(2-methylpropane-2-sulfinate);2-methylpropane-2-thiol;4-methyl-7-(7-propan-2-ylsulfonylheptyl)chromen-2-one;dihydrate
CID 158546528
Disodium;4-(6,22-dihydroxy-13,15-dioxo-14-azahexacyclo[15.8.0.02,11.03,8.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,12(16),20(25),21,23-nonaen-14-yl)butanoic acid;oxathiolane 2,2-dioxide;14-(4-oxopentyl)-6,22-di(propoxy)-14-azahexacyclo[15.8.0.02,11.03,8.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,12(16),20(25),21,23-nonaene-13,15-dione;bis(sulfur trioxide)
CID 159380195
7-(7-Tert-butylsulfonylheptyl)-4-methylchromen-2-one;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol;4-methyl-7-(7-propan-2-ylsulfonylheptyl)chromen-2-one;4-methyl-7-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;2-(2-methylpropyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]isoindole-1,3-dione;2-phenyl-5-(7-propan-2-ylsulfonylheptyl)isoindole-1,3-dione
CID 160148574
2-Cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione;4-methyl-5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;3-[2-(4-methylphenyl)ethyl]benzamide;5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;6-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine;5-[2-(4-methylphenyl)ethyl]-2-propan-2-ylisoindole-1,3-dione;4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole;hexakis(propane-2-sulfinate)
CID 160451056
Ethane;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-4-oxo-4a,8a-dihydrochromen-2-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[6-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]naphthalen-2-yl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione
CID 160507152
Ethane;2-ethyl-5-[[4-[5-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[8-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[4-[4-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]phenyl]cyclohexyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[3-[4-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-phenylphenyl]phenyl]methyl]isoindole-1,3-dione
CID 160705992
4-[5-(3-Methylphenoxy)carbonyl-1,3-dioxoisoindol-2-yl]butane-1-sulfonic acid;4-[5-(4-methylphenoxy)carbonyl-1,3-dioxoisoindol-2-yl]butane-1-sulfonic acid;4-[5-(4-methylphenoxy)carbonyl-1,3-dioxoisoindol-2-yl]butane-2-sulfonic acid;3-[5-(3-methylphenoxy)carbonyl-1,3-dioxoisoindol-2-yl]propane-1-sulfonic acid;3-[5-(4-methylphenoxy)carbonyl-1,3-dioxoisoindol-2-yl]propane-1-sulfonic acid;(4-methylphenyl) 2-[3-(diethylamino)propyl]-1,3-dioxoisoindole-5-carboxylate
CID 160842735
4-[5-(3-Methylphenoxy)carbonyl-1,3-dioxoisoindol-2-yl]butane-2-sulfonic acid;(4-methylphenyl) 4-[bis[3-(dimethylamino)propyl]carbamoyl]benzoate;(3-methylphenyl) 2-[3-(diethylamino)propyl]-1,3-dioxoisoindole-5-carboxylate;(4-methylphenyl) 2-[2-(dimethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylate;(4-methylphenyl) 2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dioxoisoindole-5-carboxylate
CID 161065952
Ethane;2-ethyl-5-[[4-[5-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[8-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[4-[4-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]phenyl]cyclohexyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[3-[4-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-phenylphenyl]phenyl]methyl]isoindole-1,3-dione
CID 163854125

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-(2-methylpropyl)isoindole-1,3-dione;7-(7-tert-butylsulfonyl-2-oxoheptyl)-4-methylchromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-(2-methylpropyl)isoindole-1,3-dione;4-methyl-7-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;4-methyl-7-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;2-(2-methylpropyl)-5-(2-oxo-7-propan-2-ylsulfonylheptyl)isoindole-1,3-dione;2-(2-methylpropyl)-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]isoindole-1,3-dione?
The IUPAC name of 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-(2-methylpropyl)isoindole-1,3-dione;7-(7-tert-butylsulfonyl-2-oxoheptyl)-4-methylchromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-(2-methylpropyl)isoindole-1,3-dione;4-methyl-7-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;4-methyl-7-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;2-(2-methylpropyl)-5-(2-oxo-7-propan-2-ylsulfonylheptyl)isoindole-1,3-dione;2-(2-methylpropyl)-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]isoindole-1,3-dione (CID 157188721) is 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-(2-methylpropyl)isoindole-1,3-dione;7-(7-tert-butylsulfonyl-2-oxoheptyl)-4-methylchromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-(2-methylpropyl)isoindole-1,3-dione;4-methyl-7-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;4-methyl-7-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;2-(2-methylpropyl)-5-(2-oxo-7-propan-2-ylsulfonylheptyl)isoindole-1,3-dione;2-(2-methylpropyl)-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-(2-methylpropyl)isoindole-1,3-dione;7-(7-tert-butylsulfonyl-2-oxoheptyl)-4-methylchromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-(2-methylpropyl)isoindole-1,3-dione;4-methyl-7-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;4-methyl-7-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;2-(2-methylpropyl)-5-(2-oxo-7-propan-2-ylsulfonylheptyl)isoindole-1,3-dione;2-(2-methylpropyl)-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-(2-methylpropyl)isoindole-1,3-dione;7-(7-tert-butylsulfonyl-2-oxoheptyl)-4-methylchromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-(2-methylpropyl)isoindole-1,3-dione;4-methyl-7-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;4-methyl-7-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;2-(2-methylpropyl)-5-(2-oxo-7-propan-2-ylsulfonylheptyl)isoindole-1,3-dione;2-(2-methylpropyl)-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]isoindole-1,3-dione is CC(C)CN1C(=O)c2ccc(CC(=O)C3CCC(CS(=O)(=O)C(C)(C)C)CC3)cc2C1=O.CC(C)CN1C(=O)c2ccc(CC(=O)C3CCC(CS(=O)(=O)C(C)C)CC3)cc2C1=O.CC(C)CN1C(=O)c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)cc2C1=O.CC(C)CN1C(=O)c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc2C1=O.Cc1cc(=O)oc2cc(CC(=O)C3CCC(CS(=O)(=O)C(C)C)CC3)ccc12.Cc1cc(=O)oc2cc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)ccc12.Cc1cc(=O)oc2cc(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc12.
What is the InChIKey of 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-(2-methylpropyl)isoindole-1,3-dione;7-(7-tert-butylsulfonyl-2-oxoheptyl)-4-methylchromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-(2-methylpropyl)isoindole-1,3-dione;4-methyl-7-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;4-methyl-7-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;2-(2-methylpropyl)-5-(2-oxo-7-propan-2-ylsulfonylheptyl)isoindole-1,3-dione;2-(2-methylpropyl)-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]isoindole-1,3-dione?
The InChIKey is APLAMTYFXARTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO5S.C24H33NO5S.C23H33NO5S.C22H31NO5S.C22H28O5S.C21H28O5S.C20H26O5S/c1-16(2)14-26-23(28)20-11-8-18(12-21(20)24(26)29)13-22(27)19-9-6-17(7-10-19)15-32(30,31)25(3,4)5;1-15(2)13-25-23(27)20-10-7-18(11-21(20)24(25)28)12-22(26)19-8-5-17(6-9-19)14-31(29,30)16(3)4;1-16(2)15-24-21(26)19-11-10-17(14-20(19)22(24)27)13-18(25)9-7-6-8-12-30(28,29)23(3,4)5;1-15(2)14-23-21(25)19-10-9-17(13-20(19)22(23)26)12-18(24)8-6-5-7-11-29(27,28)16(3)4;1-14(2)28(25,26)13-16-4-7-18(8-5-16)20(23)11-17-6-9-19-15(3)10-22(24)27-21(19)12-17;1-15-12-20(23)26-19-14-16(9-10-18(15)19)13-17(22)8-6-5-7-11-27(24,25)21(2,3)4;1-14(2)26(23,24)10-6-4-5-7-17(21)12-16-8-9-18-15(3)11-20(22)25-19(18)13-16/h8,11-12,16-17,19H,6-7,9-10,13-15H2,1-5H3;7,10-11,15-17,19H,5-6,8-9,12-14H2,1-4H3;10-11,14,16H,6-9,12-13,15H2,1-5H3;9-10,13,15-16H,5-8,11-12,14H2,1-4H3;6,9-10,12,14,16,18H,4-5,7-8,11,13H2,1-3H3;9-10,12,14H,5-8,11,13H2,1-4H3;8-9,11,13-14H,4-7,10,12H2,1-3H3.
What are the key properties of 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-(2-methylpropyl)isoindole-1,3-dione;7-(7-tert-butylsulfonyl-2-oxoheptyl)-4-methylchromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-(2-methylpropyl)isoindole-1,3-dione;4-methyl-7-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;4-methyl-7-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;2-(2-methylpropyl)-5-(2-oxo-7-propan-2-ylsulfonylheptyl)isoindole-1,3-dione;2-(2-methylpropyl)-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]isoindole-1,3-dione?
5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-(2-methylpropyl)isoindole-1,3-dione;7-(7-tert-butylsulfonyl-2-oxoheptyl)-4-methylchromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-(2-methylpropyl)isoindole-1,3-dione;4-methyl-7-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;4-methyl-7-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;2-(2-methylpropyl)-5-(2-oxo-7-propan-2-ylsulfonylheptyl)isoindole-1,3-dione;2-(2-methylpropyl)-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]isoindole-1,3-dione has a molecular weight of 2941.90 g/mol, XLogP of 26.43, 59 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-(2-methylpropyl)isoindole-1,3-dione;7-(7-tert-butylsulfonyl-2-oxoheptyl)-4-methylchromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-(2-methylpropyl)isoindole-1,3-dione;4-methyl-7-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;4-methyl-7-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;2-(2-methylpropyl)-5-(2-oxo-7-propan-2-ylsulfonylheptyl)isoindole-1,3-dione;2-(2-methylpropyl)-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 157188721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).