5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-phenylisoindole-1,3-dione;6-(7-tert-butylsulfonyl-2-oxoheptyl)chromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-phenylisoindole-1,3-dione;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;6-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;6-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-phenylisoindole-1,3-dione

C162H201FN4O34S7 — CID 160686719

IUPAC5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-phenylisoindole-1,3-dione;6-(7-tert-butylsulfonyl-2-oxoheptyl)chromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-phenylisoindole-1,3-dione;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;6-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;6-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-phenylisoindole-1,3-dione
SMILESCC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)CC1.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2oc(=O)ccc2c1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2F)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc3oc(=O)ccc3c2)CC1.CC(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C27H31NO5S.C26H29NO5S.C25H29NO5S.C24H36FNO4S.C21H26O5S.C20H26O5S.C19H24O5S/c1-27(2,3)34(32,33)17-18-9-12-20(13-10-18)24(29)16-19-11-14-22-23(15-19)26(31)28(25(22)30)21-7-5-4-6-8-21;1-17(2)33(31,32)16-18-8-11-20(12-9-18)24(28)15-19-10-13-22-23(14-19)26(30)27(25(22)29)21-6-4-3-5-7-21;1-25(2,3)32(30,31)15-9-5-8-12-20(27)16-18-13-14-21-22(17-18)24(29)26(23(21)28)19-10-6-4-7-11-19;1-16(2)31(28,29)15-19-5-7-20(8-6-19)24(27)11-21-9-10-22(12-23(21)25)26-13-17(3)30-18(4)14-26;1-14(2)27(24,25)13-15-3-6-17(7-4-15)19(22)12-16-5-9-20-18(11-16)8-10-21(23)26-20;1-20(2,3)26(23,24)12-6-4-5-7-17(21)14-15-8-10-18-16(13-15)9-11-19(22)25-18;1-14(2)25(22,23)11-5-3-4-6-17(20)13-15-7-9-18-16(12-15)8-10-19(21)24-18/h4-8,11,14-15,18,20H,9-10,12-13,16-17H2,1-3H3;3-7,10,13-14,17-18,20H,8-9,11-12,15-16H2,1-2H3;4,6-7,10-11,13-14,17H,5,8-9,12,15-16H2,1-3H3;9-10,12,16-20H,5-8,11,13-15H2,1-4H3;5,8-11,14-15,17H,3-4,6-7,12-13H2,1-2H3;8-11,13H,4-7,12,14H2,1-3H3;7-10,12,14H,3-6,11,13H2,1-2H3/t;;;17-,18+,19?,20?;;;
InChIKeyROWABJZKVSPAPE-YYRDJKBKSA-N
MW2991.85 g/mol
LogP27.90
Rot. Bonds52

About 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-phenylisoindole-1,3-dione;6-(7-tert-butylsulfonyl-2-oxoheptyl)chromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-phenylisoindole-1,3-dione;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;6-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;6-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-phenylisoindole-1,3-dione

5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-phenylisoindole-1,3-dione;6-(7-tert-butylsulfonyl-2-oxoheptyl)chromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-phenylisoindole-1,3-dione;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;6-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;6-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-phenylisoindole-1,3-dione (PubChem CID 160686719) has the molecular formula C162H201FN4O34S7 and a molecular weight of 2991.85 g/mol. Its IUPAC name is 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-phenylisoindole-1,3-dione;6-(7-tert-butylsulfonyl-2-oxoheptyl)chromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-phenylisoindole-1,3-dione;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;6-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;6-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-phenylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-phenylisoindole-1,3-dione;6-(7-tert-butylsulfonyl-2-oxoheptyl)chromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-phenylisoindole-1,3-dione;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;6-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;6-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-phenylisoindole-1,3-dione
PubChem CID160686719
Molecular FormulaC162H201FN4O34S7
Molecular Weight2991.85 g/mol
Exact Mass2989.22
IUPAC Name5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-phenylisoindole-1,3-dione;6-(7-tert-butylsulfonyl-2-oxoheptyl)chromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-phenylisoindole-1,3-dione;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;6-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;6-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-phenylisoindole-1,3-dione
SMILESCC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)CC1.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2oc(=O)ccc2c1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2F)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc3oc(=O)ccc3c2)CC1.CC(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C27H31NO5S.C26H29NO5S.C25H29NO5S.C24H36FNO4S.C21H26O5S.C20H26O5S.C19H24O5S/c1-27(2,3)34(32,33)17-18-9-12-20(13-10-18)24(29)16-19-11-14-22-23(15-19)26(31)28(25(22)30)21-7-5-4-6-8-21;1-17(2)33(31,32)16-18-8-11-20(12-9-18)24(28)15-19-10-13-22-23(14-19)26(30)27(25(22)29)21-6-4-3-5-7-21;1-25(2,3)32(30,31)15-9-5-8-12-20(27)16-18-13-14-21-22(17-18)24(29)26(23(21)28)19-10-6-4-7-11-19;1-16(2)31(28,29)15-19-5-7-20(8-6-19)24(27)11-21-9-10-22(12-23(21)25)26-13-17(3)30-18(4)14-26;1-14(2)27(24,25)13-15-3-6-17(7-4-15)19(22)12-16-5-9-20-18(11-16)8-10-21(23)26-20;1-20(2,3)26(23,24)12-6-4-5-7-17(21)14-15-8-10-18-16(13-15)9-11-19(22)25-18;1-14(2)25(22,23)11-5-3-4-6-17(20)13-15-7-9-18-16(12-15)8-10-19(21)24-18/h4-8,11,14-15,18,20H,9-10,12-13,16-17H2,1-3H3;3-7,10,13-14,17-18,20H,8-9,11-12,15-16H2,1-2H3;4,6-7,10-11,13-14,17H,5,8-9,12,15-16H2,1-3H3;9-10,12,16-20H,5-8,11,13-15H2,1-4H3;5,8-11,14-15,17H,3-4,6-7,12-13H2,1-2H3;8-11,13H,4-7,12,14H2,1-3H3;7-10,12,14H,3-6,11,13H2,1-2H3/t;;;17-,18+,19?,20?;;;
InChIKeyROWABJZKVSPAPE-YYRDJKBKSA-N
XLogP27.90
TPSA573.71 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds52
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002991.85
LogP ≤ 527.90
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-phenylisoindole-1,3-dione;6-(7-tert-butylsulfonyl-2-oxoheptyl)chromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-phenylisoindole-1,3-dione;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;6-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;6-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-phenylisoindole-1,3-dione with MolForge

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Related Compounds

2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone
CID 58145410
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-7-propan-2-ylsulfonylheptan-2-one
CID 58144094
5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-(4-propan-2-ylphenyl)isoindole-1,3-dione
CID 58145441
(2R,6S)-4-[3-fluoro-4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,6-dimethylmorpholine
CID 59546142
1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorophenyl]ethanone
CID 58145791
5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-methylisoindole-1,3-dione
CID 58145164
1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone
CID 58144465
3-acetyl-6-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one
CID 58143893
7-tert-butylsulfonyl-1-[3-[(2R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]heptan-2-one
CID 58144203
1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrrolidin-1-ylphenyl)ethanone
CID 58144336
2-(3-fluoro-4-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone
CID 58143982
7-tert-butylsulfonyl-1-(2,3-dihydro-1H-inden-5-yl)heptan-2-one;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]-3-methylbutan-1-one;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;7-tert-butylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one;1-(2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one
CID 157075087

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-phenylisoindole-1,3-dione;6-(7-tert-butylsulfonyl-2-oxoheptyl)chromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-phenylisoindole-1,3-dione;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;6-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;6-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-phenylisoindole-1,3-dione?
The IUPAC name of 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-phenylisoindole-1,3-dione;6-(7-tert-butylsulfonyl-2-oxoheptyl)chromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-phenylisoindole-1,3-dione;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;6-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;6-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-phenylisoindole-1,3-dione (CID 160686719) is 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-phenylisoindole-1,3-dione;6-(7-tert-butylsulfonyl-2-oxoheptyl)chromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-phenylisoindole-1,3-dione;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;6-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;6-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-phenylisoindole-1,3-dione.
What is the SMILES notation for 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-phenylisoindole-1,3-dione;6-(7-tert-butylsulfonyl-2-oxoheptyl)chromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-phenylisoindole-1,3-dione;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;6-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;6-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-phenylisoindole-1,3-dione?
The canonical SMILES for 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-phenylisoindole-1,3-dione;6-(7-tert-butylsulfonyl-2-oxoheptyl)chromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-phenylisoindole-1,3-dione;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;6-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;6-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-phenylisoindole-1,3-dione is CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)CC1.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2oc(=O)ccc2c1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2F)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc3oc(=O)ccc3c2)CC1.CC(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2oc(=O)ccc2c1.
What is the InChIKey of 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-phenylisoindole-1,3-dione;6-(7-tert-butylsulfonyl-2-oxoheptyl)chromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-phenylisoindole-1,3-dione;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;6-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;6-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-phenylisoindole-1,3-dione?
The InChIKey is ROWABJZKVSPAPE-YYRDJKBKSA-N. The full InChI is InChI=1S/C27H31NO5S.C26H29NO5S.C25H29NO5S.C24H36FNO4S.C21H26O5S.C20H26O5S.C19H24O5S/c1-27(2,3)34(32,33)17-18-9-12-20(13-10-18)24(29)16-19-11-14-22-23(15-19)26(31)28(25(22)30)21-7-5-4-6-8-21;1-17(2)33(31,32)16-18-8-11-20(12-9-18)24(28)15-19-10-13-22-23(14-19)26(30)27(25(22)29)21-6-4-3-5-7-21;1-25(2,3)32(30,31)15-9-5-8-12-20(27)16-18-13-14-21-22(17-18)24(29)26(23(21)28)19-10-6-4-7-11-19;1-16(2)31(28,29)15-19-5-7-20(8-6-19)24(27)11-21-9-10-22(12-23(21)25)26-13-17(3)30-18(4)14-26;1-14(2)27(24,25)13-15-3-6-17(7-4-15)19(22)12-16-5-9-20-18(11-16)8-10-21(23)26-20;1-20(2,3)26(23,24)12-6-4-5-7-17(21)14-15-8-10-18-16(13-15)9-11-19(22)25-18;1-14(2)25(22,23)11-5-3-4-6-17(20)13-15-7-9-18-16(12-15)8-10-19(21)24-18/h4-8,11,14-15,18,20H,9-10,12-13,16-17H2,1-3H3;3-7,10,13-14,17-18,20H,8-9,11-12,15-16H2,1-2H3;4,6-7,10-11,13-14,17H,5,8-9,12,15-16H2,1-3H3;9-10,12,16-20H,5-8,11,13-15H2,1-4H3;5,8-11,14-15,17H,3-4,6-7,12-13H2,1-2H3;8-11,13H,4-7,12,14H2,1-3H3;7-10,12,14H,3-6,11,13H2,1-2H3/t;;;17-,18+,19?,20?;;;.
What are the key properties of 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-phenylisoindole-1,3-dione;6-(7-tert-butylsulfonyl-2-oxoheptyl)chromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-phenylisoindole-1,3-dione;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;6-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;6-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-phenylisoindole-1,3-dione?
5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-2-phenylisoindole-1,3-dione;6-(7-tert-butylsulfonyl-2-oxoheptyl)chromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-phenylisoindole-1,3-dione;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;6-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;6-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-phenylisoindole-1,3-dione has a molecular weight of 2991.85 g/mol, XLogP of 27.90, 52 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-phenylisoindole-1,3-dione;6-(7-tert-butylsulfonyl-2-oxoheptyl)chromen-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-phenylisoindole-1,3-dione;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;6-(2-oxo-7-propan-2-ylsulfonylheptyl)chromen-2-one;6-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]chromen-2-one;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-phenylisoindole-1,3-dione is sourced from PubChem (CID 160686719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).