2-(benzenesulfonyl)ethyl (Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(4S,5E)-5-[(3R)-4-(5-ethyl-1,3-thiazol-4-yl)-3-hydroxybutylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-fluorooct-5-enylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(3R)-3-hydroxyoct-5-ynylidene]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one;(4S,5E)-4-hept-2-ynyl-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;methyl (Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;methyl (Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;(Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid

C232H321FN2O28S3 — CID 158946303

IUPAC2-(benzenesulfonyl)ethyl (Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(4S,5E)-5-[(3R)-4-(5-ethyl-1,3-thiazol-4-yl)-3-hydroxybutylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-fluorooct-5-enylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(3R)-3-hydroxyoct-5-ynylidene]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one;(4S,5E)-4-hept-2-ynyl-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;methyl (Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;methyl (Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;(Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
SMILESCC/C=C\C/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O.CC/C=C\C/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)OC.CC/C=C\CCC/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC.CC/C=C\CCC/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O.CC/C=C\CCC/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)OC.CC/C=C\C[C@H](F)C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC.CC/C=C\C[C@H](O)C/C=C1/C(=O)C=CC1c1nc(CCCCC)cs1.CC/C=C\C[C@H](O)C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)OCCS(=O)(=O)c1ccccc1.CC/C=C\C[C@H](O)C/C=C1/C(=O)C=C[C@@H]1CC#CCCCC.CCC#CC[C@H](O)C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC.CCCC/C=C\C[C@H]1C=CC(=O)/C1=C/C[C@@H](O)Cc1ncsc1CC
InChIInChI=1S/C28H36O6S.2C21H29NO2S.C21H30O3.C21H28O3.C20H29FO.C20H28O3.C20H26O3.2C20H28O2.C20H30O/c1-2-3-7-13-24(29)18-19-26-23(17-20-27(26)30)12-8-4-5-11-16-28(31)34-21-22-35(32,33)25-14-9-6-10-15-25;1-3-5-6-7-8-9-16-10-13-20(24)18(16)12-11-17(23)14-19-21(4-2)25-15-22-19;1-3-5-7-9-16-15-25-21(22-16)19-13-14-20(24)18(19)12-11-17(23)10-8-6-4-2;2*1-3-4-5-6-7-11-14-19-18(16-17-20(19)22)13-10-8-9-12-15-21(23)24-2;1-3-5-7-8-10-11-17-13-16-20(22)19(17)15-14-18(21)12-9-6-4-2;2*1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23;2*1-3-5-7-8-10-11-17-13-16-20(22)19(17)15-14-18(21)12-9-6-4-2;1-3-5-7-9-11-13-15-19-18(16-17-20(19)21)14-12-10-8-6-4-2/h3-4,6-10,14-15,17,19-20,23-24,29H,2,5,11-13,16,18,21-22H2,1H3;7-8,10,12-13,15-17,23H,3-6,9,11,14H2,1-2H3;6,8,12-15,17,19,23H,3-5,7,9-11H2,1-2H3;4-5,8,10,14,16-18H,3,6-7,9,11-13,15H2,1-2H3;4-5,7-8,10-11,14,16-18H,3,6,9,12-13,15H2,1-2H3;6,8-10,13,15-18H,3-5,7,11-12,14H2,1-2H3;3-4,7,9,13,15-17H,2,5-6,8,10-12,14H2,1H3,(H,22,23);3-4,6-7,9-10,13,15-17H,2,5,8,11-12,14H2,1H3,(H,22,23);8,10,13,15-18,21H,3-5,7,11-12,14H2,1-2H3;6,9,13,15-18,21H,3-5,7,11-12,14H2,1-2H3;5,7,10,12,15-18H,3-4,6,8-9,11,13-14H2,1-2H3/b7-3-,8-4-,26-19+;8-7-,18-12+;8-6-,18-12+;5-4-,10-8-,19-14+;5-4-,10-8-,11-7+,19-14+;9-6-,10-8-,19-15+;4-3-,9-7-,18-13+;4-3-,9-7-,10-6+,18-13+;10-8-,19-15+;9-6-,19-15+;7-5-,12-10-,19-15+/t23-,24-;16-,17+;17-,19?;2*18-;17-,18-;2*17-;2*17-,18-;18-/m00000000000/s1
InChIKeyJKWDSAFPFMEAPA-JCTUDKOJSA-N
MW3701.30 g/mol
LogP55.16
Rot. Bonds113

About 2-(benzenesulfonyl)ethyl (Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(4S,5E)-5-[(3R)-4-(5-ethyl-1,3-thiazol-4-yl)-3-hydroxybutylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-fluorooct-5-enylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(3R)-3-hydroxyoct-5-ynylidene]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one;(4S,5E)-4-hept-2-ynyl-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;methyl (Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;methyl (Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;(Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid

2-(benzenesulfonyl)ethyl (Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(4S,5E)-5-[(3R)-4-(5-ethyl-1,3-thiazol-4-yl)-3-hydroxybutylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-fluorooct-5-enylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(3R)-3-hydroxyoct-5-ynylidene]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one;(4S,5E)-4-hept-2-ynyl-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;methyl (Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;methyl (Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;(Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid (PubChem CID 158946303) has the molecular formula C232H321FN2O28S3 and a molecular weight of 3701.30 g/mol. Its IUPAC name is 2-(benzenesulfonyl)ethyl (Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(4S,5E)-5-[(3R)-4-(5-ethyl-1,3-thiazol-4-yl)-3-hydroxybutylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-fluorooct-5-enylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(3R)-3-hydroxyoct-5-ynylidene]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one;(4S,5E)-4-hept-2-ynyl-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;methyl (Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;methyl (Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;(Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid.

Molecular Properties

Compound Name2-(benzenesulfonyl)ethyl (Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(4S,5E)-5-[(3R)-4-(5-ethyl-1,3-thiazol-4-yl)-3-hydroxybutylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-fluorooct-5-enylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(3R)-3-hydroxyoct-5-ynylidene]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one;(4S,5E)-4-hept-2-ynyl-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;methyl (Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;methyl (Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;(Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
PubChem CID158946303
Molecular FormulaC232H321FN2O28S3
Molecular Weight3701.30 g/mol
Exact Mass3698.29
IUPAC Name2-(benzenesulfonyl)ethyl (Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(4S,5E)-5-[(3R)-4-(5-ethyl-1,3-thiazol-4-yl)-3-hydroxybutylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-fluorooct-5-enylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(3R)-3-hydroxyoct-5-ynylidene]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one;(4S,5E)-4-hept-2-ynyl-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;methyl (Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;methyl (Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;(Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
SMILESCC/C=C\C/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O.CC/C=C\C/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)OC.CC/C=C\CCC/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC.CC/C=C\CCC/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O.CC/C=C\CCC/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)OC.CC/C=C\C[C@H](F)C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC.CC/C=C\C[C@H](O)C/C=C1/C(=O)C=CC1c1nc(CCCCC)cs1.CC/C=C\C[C@H](O)C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)OCCS(=O)(=O)c1ccccc1.CC/C=C\C[C@H](O)C/C=C1/C(=O)C=C[C@@H]1CC#CCCCC.CCC#CC[C@H](O)C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC.CCCC/C=C\C[C@H]1C=CC(=O)/C1=C/C[C@@H](O)Cc1ncsc1CC
InChIInChI=1S/C28H36O6S.2C21H29NO2S.C21H30O3.C21H28O3.C20H29FO.C20H28O3.C20H26O3.2C20H28O2.C20H30O/c1-2-3-7-13-24(29)18-19-26-23(17-20-27(26)30)12-8-4-5-11-16-28(31)34-21-22-35(32,33)25-14-9-6-10-15-25;1-3-5-6-7-8-9-16-10-13-20(24)18(16)12-11-17(23)14-19-21(4-2)25-15-22-19;1-3-5-7-9-16-15-25-21(22-16)19-13-14-20(24)18(19)12-11-17(23)10-8-6-4-2;2*1-3-4-5-6-7-11-14-19-18(16-17-20(19)22)13-10-8-9-12-15-21(23)24-2;1-3-5-7-8-10-11-17-13-16-20(22)19(17)15-14-18(21)12-9-6-4-2;2*1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23;2*1-3-5-7-8-10-11-17-13-16-20(22)19(17)15-14-18(21)12-9-6-4-2;1-3-5-7-9-11-13-15-19-18(16-17-20(19)21)14-12-10-8-6-4-2/h3-4,6-10,14-15,17,19-20,23-24,29H,2,5,11-13,16,18,21-22H2,1H3;7-8,10,12-13,15-17,23H,3-6,9,11,14H2,1-2H3;6,8,12-15,17,19,23H,3-5,7,9-11H2,1-2H3;4-5,8,10,14,16-18H,3,6-7,9,11-13,15H2,1-2H3;4-5,7-8,10-11,14,16-18H,3,6,9,12-13,15H2,1-2H3;6,8-10,13,15-18H,3-5,7,11-12,14H2,1-2H3;3-4,7,9,13,15-17H,2,5-6,8,10-12,14H2,1H3,(H,22,23);3-4,6-7,9-10,13,15-17H,2,5,8,11-12,14H2,1H3,(H,22,23);8,10,13,15-18,21H,3-5,7,11-12,14H2,1-2H3;6,9,13,15-18,21H,3-5,7,11-12,14H2,1-2H3;5,7,10,12,15-18H,3-4,6,8-9,11,13-14H2,1-2H3/b7-3-,8-4-,26-19+;8-7-,18-12+;8-6-,18-12+;5-4-,10-8-,19-14+;5-4-,10-8-,11-7+,19-14+;9-6-,10-8-,19-15+;4-3-,9-7-,18-13+;4-3-,9-7-,10-6+,18-13+;10-8-,19-15+;9-6-,19-15+;7-5-,12-10-,19-15+/t23-,24-;16-,17+;17-,19?;2*18-;17-,18-;2*17-;2*17-,18-;18-/m00000000000/s1
InChIKeyJKWDSAFPFMEAPA-JCTUDKOJSA-N
XLogP55.16
TPSA502.34 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds113
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003701.30
LogP ≤ 555.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze 2-(benzenesulfonyl)ethyl (Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(4S,5E)-5-[(3R)-4-(5-ethyl-1,3-thiazol-4-yl)-3-hydroxybutylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-fluorooct-5-enylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(3R)-3-hydroxyoct-5-ynylidene]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one;(4S,5E)-4-hept-2-ynyl-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;methyl (Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;methyl (Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;(Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)ethyl (Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(4S,5E)-5-[(3R)-4-(5-ethyl-1,3-thiazol-4-yl)-3-hydroxybutylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-fluorooct-5-enylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(3R)-3-hydroxyoct-5-ynylidene]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one;(4S,5E)-4-hept-2-ynyl-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;methyl (Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;methyl (Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;(Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid?
The IUPAC name of 2-(benzenesulfonyl)ethyl (Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(4S,5E)-5-[(3R)-4-(5-ethyl-1,3-thiazol-4-yl)-3-hydroxybutylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-fluorooct-5-enylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(3R)-3-hydroxyoct-5-ynylidene]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one;(4S,5E)-4-hept-2-ynyl-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;methyl (Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;methyl (Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;(Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid (CID 158946303) is 2-(benzenesulfonyl)ethyl (Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(4S,5E)-5-[(3R)-4-(5-ethyl-1,3-thiazol-4-yl)-3-hydroxybutylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-fluorooct-5-enylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(3R)-3-hydroxyoct-5-ynylidene]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one;(4S,5E)-4-hept-2-ynyl-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;methyl (Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;methyl (Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;(Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid.
What is the SMILES notation for 2-(benzenesulfonyl)ethyl (Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(4S,5E)-5-[(3R)-4-(5-ethyl-1,3-thiazol-4-yl)-3-hydroxybutylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-fluorooct-5-enylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(3R)-3-hydroxyoct-5-ynylidene]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one;(4S,5E)-4-hept-2-ynyl-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;methyl (Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;methyl (Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;(Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid?
The canonical SMILES for 2-(benzenesulfonyl)ethyl (Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(4S,5E)-5-[(3R)-4-(5-ethyl-1,3-thiazol-4-yl)-3-hydroxybutylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-fluorooct-5-enylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(3R)-3-hydroxyoct-5-ynylidene]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one;(4S,5E)-4-hept-2-ynyl-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;methyl (Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;methyl (Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;(Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid is CC/C=C\C/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O.CC/C=C\C/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)OC.CC/C=C\CCC/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC.CC/C=C\CCC/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O.CC/C=C\CCC/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)OC.CC/C=C\C[C@H](F)C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC.CC/C=C\C[C@H](O)C/C=C1/C(=O)C=CC1c1nc(CCCCC)cs1.CC/C=C\C[C@H](O)C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)OCCS(=O)(=O)c1ccccc1.CC/C=C\C[C@H](O)C/C=C1/C(=O)C=C[C@@H]1CC#CCCCC.CCC#CC[C@H](O)C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC.CCCC/C=C\C[C@H]1C=CC(=O)/C1=C/C[C@@H](O)Cc1ncsc1CC.
What is the InChIKey of 2-(benzenesulfonyl)ethyl (Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(4S,5E)-5-[(3R)-4-(5-ethyl-1,3-thiazol-4-yl)-3-hydroxybutylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-fluorooct-5-enylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(3R)-3-hydroxyoct-5-ynylidene]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one;(4S,5E)-4-hept-2-ynyl-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;methyl (Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;methyl (Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;(Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid?
The InChIKey is JKWDSAFPFMEAPA-JCTUDKOJSA-N. The full InChI is InChI=1S/C28H36O6S.2C21H29NO2S.C21H30O3.C21H28O3.C20H29FO.C20H28O3.C20H26O3.2C20H28O2.C20H30O/c1-2-3-7-13-24(29)18-19-26-23(17-20-27(26)30)12-8-4-5-11-16-28(31)34-21-22-35(32,33)25-14-9-6-10-15-25;1-3-5-6-7-8-9-16-10-13-20(24)18(16)12-11-17(23)14-19-21(4-2)25-15-22-19;1-3-5-7-9-16-15-25-21(22-16)19-13-14-20(24)18(19)12-11-17(23)10-8-6-4-2;2*1-3-4-5-6-7-11-14-19-18(16-17-20(19)22)13-10-8-9-12-15-21(23)24-2;1-3-5-7-8-10-11-17-13-16-20(22)19(17)15-14-18(21)12-9-6-4-2;2*1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23;2*1-3-5-7-8-10-11-17-13-16-20(22)19(17)15-14-18(21)12-9-6-4-2;1-3-5-7-9-11-13-15-19-18(16-17-20(19)21)14-12-10-8-6-4-2/h3-4,6-10,14-15,17,19-20,23-24,29H,2,5,11-13,16,18,21-22H2,1H3;7-8,10,12-13,15-17,23H,3-6,9,11,14H2,1-2H3;6,8,12-15,17,19,23H,3-5,7,9-11H2,1-2H3;4-5,8,10,14,16-18H,3,6-7,9,11-13,15H2,1-2H3;4-5,7-8,10-11,14,16-18H,3,6,9,12-13,15H2,1-2H3;6,8-10,13,15-18H,3-5,7,11-12,14H2,1-2H3;3-4,7,9,13,15-17H,2,5-6,8,10-12,14H2,1H3,(H,22,23);3-4,6-7,9-10,13,15-17H,2,5,8,11-12,14H2,1H3,(H,22,23);8,10,13,15-18,21H,3-5,7,11-12,14H2,1-2H3;6,9,13,15-18,21H,3-5,7,11-12,14H2,1-2H3;5,7,10,12,15-18H,3-4,6,8-9,11,13-14H2,1-2H3/b7-3-,8-4-,26-19+;8-7-,18-12+;8-6-,18-12+;5-4-,10-8-,19-14+;5-4-,10-8-,11-7+,19-14+;9-6-,10-8-,19-15+;4-3-,9-7-,18-13+;4-3-,9-7-,10-6+,18-13+;10-8-,19-15+;9-6-,19-15+;7-5-,12-10-,19-15+/t23-,24-;16-,17+;17-,19?;2*18-;17-,18-;2*17-;2*17-,18-;18-/m00000000000/s1.
What are the key properties of 2-(benzenesulfonyl)ethyl (Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(4S,5E)-5-[(3R)-4-(5-ethyl-1,3-thiazol-4-yl)-3-hydroxybutylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-fluorooct-5-enylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(3R)-3-hydroxyoct-5-ynylidene]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one;(4S,5E)-4-hept-2-ynyl-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;methyl (Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;methyl (Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;(Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid?
2-(benzenesulfonyl)ethyl (Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(4S,5E)-5-[(3R)-4-(5-ethyl-1,3-thiazol-4-yl)-3-hydroxybutylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-fluorooct-5-enylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(3R)-3-hydroxyoct-5-ynylidene]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one;(4S,5E)-4-hept-2-ynyl-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;methyl (Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;methyl (Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;(Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid has a molecular weight of 3701.30 g/mol, XLogP of 55.16, 113 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)ethyl (Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(4S,5E)-5-[(3R)-4-(5-ethyl-1,3-thiazol-4-yl)-3-hydroxybutylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-fluorooct-5-enylidene]-4-[(Z)-hept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(3R)-3-hydroxyoct-5-ynylidene]cyclopent-2-en-1-one;(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one;(4S,5E)-4-hept-2-ynyl-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;methyl (Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;methyl (Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate;(Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;(Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid is sourced from PubChem (CID 158946303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).