2-[2-[2-[4-[4-[2-[5-[4-[2-(2-aminoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[4-[4-[2-[5-[4-[2-(2-azidoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methane;2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]acetic acid

C201H202F30N8O42S12 — CID 158855085

IUPAC2-[2-[2-[4-[4-[2-[5-[4-[2-(2-aminoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[4-[4-[2-[5-[4-[2-(2-azidoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methane;2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]acetic acid
SMILESC.CNCCOCCOc1ccc(-c2cc(C3=C(c4cc(-c5ccc(OCCOCCOCC(=O)O)cc5)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)cc1.Cc1ccc(S(=O)(=O)OCCOCCOCC(=O)O)cc1.Cc1ccc(S(=O)(=O)OCCOCCOCCOCCN=[N+]=[N-])cc1.Cc1sc(-c2ccc(O)cc2)cc1C1=C(c2cc(-c3ccc(O)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F.Cc1sc(-c2ccc(O)cc2)cc1C1=C(c2cc(-c3ccc(OCCOCCOCC(=O)O)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F.Cc1sc(-c2ccc(OCCOCCN)cc2)cc1C1=C(c2cc(-c3ccc(OCCOCCOCC(=O)O)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F.Cc1sc(-c2ccc(OCCOCCN=[N+]=[N-])cc2)cc1C1=C(c2cc(-c3ccc(OCCOCCOCC(=O)O)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C38H39F6NO7S2.C37H35F6N3O7S2.C37H37F6NO7S2.C33H28F6O6S2.C27H18F6O2S2.C15H23N3O6S.C13H18O7S.CH4/c1-23-29(20-31(53-23)25-4-8-27(9-5-25)51-18-16-48-13-12-45-3)34-35(37(41,42)38(43,44)36(34,39)40)30-21-32(54-24(30)2)26-6-10-28(11-7-26)52-19-17-49-14-15-50-22-33(46)47;1-22-28(19-30(54-22)24-3-7-26(8-4-24)52-17-15-49-12-11-45-46-44)33-34(36(40,41)37(42,43)35(33,38)39)29-20-31(55-23(29)2)25-5-9-27(10-6-25)53-18-16-50-13-14-51-21-32(47)48;1-22-28(19-30(52-22)24-3-7-26(8-4-24)50-17-15-47-12-11-44)33-34(36(40,41)37(42,43)35(33,38)39)29-20-31(53-23(29)2)25-5-9-27(10-6-25)51-18-16-48-13-14-49-21-32(45)46;1-18-24(15-26(46-18)20-3-7-22(40)8-4-20)29-30(32(36,37)33(38,39)31(29,34)35)25-16-27(47-19(25)2)21-5-9-23(10-6-21)45-14-13-43-11-12-44-17-28(41)42;1-13-19(11-21(36-13)15-3-7-17(34)8-4-15)23-24(26(30,31)27(32,33)25(23,28)29)20-12-22(37-14(20)2)16-5-9-18(35)10-6-16;1-14-2-4-15(5-3-14)25(19,20)24-13-12-23-11-10-22-9-8-21-7-6-17-18-16;1-11-2-4-12(5-3-11)21(16,17)20-9-8-18-6-7-19-10-13(14)15;/h4-11,20-21,45H,12-19,22H2,1-3H3,(H,46,47);3-10,19-20H,11-18,21H2,1-2H3,(H,47,48);3-10,19-20H,11-18,21,44H2,1-2H3,(H,45,46);3-10,15-16,40H,11-14,17H2,1-2H3,(H,41,42);3-12,34-35H,1-2H3;2-5H,6-13H2,1H3;2-5H,6-10H2,1H3,(H,14,15);1H4
InChIKeyIZYGEAHIBUVYBC-UHFFFAOYSA-N
MW4356.58 g/mol
LogP48.25
Rot. Bonds100

About 2-[2-[2-[4-[4-[2-[5-[4-[2-(2-aminoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[4-[4-[2-[5-[4-[2-(2-azidoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methane;2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]acetic acid

2-[2-[2-[4-[4-[2-[5-[4-[2-(2-aminoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[4-[4-[2-[5-[4-[2-(2-azidoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methane;2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]acetic acid (PubChem CID 158855085) has the molecular formula C201H202F30N8O42S12 and a molecular weight of 4356.58 g/mol. Its IUPAC name is 2-[2-[2-[4-[4-[2-[5-[4-[2-(2-aminoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[4-[4-[2-[5-[4-[2-(2-azidoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methane;2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[4-[4-[2-[5-[4-[2-(2-aminoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[4-[4-[2-[5-[4-[2-(2-azidoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methane;2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]acetic acid
PubChem CID158855085
Molecular FormulaC201H202F30N8O42S12
Molecular Weight4356.58 g/mol
Exact Mass4353.01
IUPAC Name2-[2-[2-[4-[4-[2-[5-[4-[2-(2-aminoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[4-[4-[2-[5-[4-[2-(2-azidoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methane;2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]acetic acid
SMILESC.CNCCOCCOc1ccc(-c2cc(C3=C(c4cc(-c5ccc(OCCOCCOCC(=O)O)cc5)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)cc1.Cc1ccc(S(=O)(=O)OCCOCCOCC(=O)O)cc1.Cc1ccc(S(=O)(=O)OCCOCCOCCOCCN=[N+]=[N-])cc1.Cc1sc(-c2ccc(O)cc2)cc1C1=C(c2cc(-c3ccc(O)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F.Cc1sc(-c2ccc(O)cc2)cc1C1=C(c2cc(-c3ccc(OCCOCCOCC(=O)O)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F.Cc1sc(-c2ccc(OCCOCCN)cc2)cc1C1=C(c2cc(-c3ccc(OCCOCCOCC(=O)O)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F.Cc1sc(-c2ccc(OCCOCCN=[N+]=[N-])cc2)cc1C1=C(c2cc(-c3ccc(OCCOCCOCC(=O)O)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C38H39F6NO7S2.C37H35F6N3O7S2.C37H37F6NO7S2.C33H28F6O6S2.C27H18F6O2S2.C15H23N3O6S.C13H18O7S.CH4/c1-23-29(20-31(53-23)25-4-8-27(9-5-25)51-18-16-48-13-12-45-3)34-35(37(41,42)38(43,44)36(34,39)40)30-21-32(54-24(30)2)26-6-10-28(11-7-26)52-19-17-49-14-15-50-22-33(46)47;1-22-28(19-30(54-22)24-3-7-26(8-4-24)52-17-15-49-12-11-45-46-44)33-34(36(40,41)37(42,43)35(33,38)39)29-20-31(55-23(29)2)25-5-9-27(10-6-25)53-18-16-50-13-14-51-21-32(47)48;1-22-28(19-30(52-22)24-3-7-26(8-4-24)50-17-15-47-12-11-44)33-34(36(40,41)37(42,43)35(33,38)39)29-20-31(53-23(29)2)25-5-9-27(10-6-25)51-18-16-48-13-14-49-21-32(45)46;1-18-24(15-26(46-18)20-3-7-22(40)8-4-20)29-30(32(36,37)33(38,39)31(29,34)35)25-16-27(47-19(25)2)21-5-9-23(10-6-21)45-14-13-43-11-12-44-17-28(41)42;1-13-19(11-21(36-13)15-3-7-17(34)8-4-15)23-24(26(30,31)27(32,33)25(23,28)29)20-12-22(37-14(20)2)16-5-9-18(35)10-6-16;1-14-2-4-15(5-3-14)25(19,20)24-13-12-23-11-10-22-9-8-21-7-6-17-18-16;1-11-2-4-12(5-3-11)21(16,17)20-9-8-18-6-7-19-10-13(14)15;/h4-11,20-21,45H,12-19,22H2,1-3H3,(H,46,47);3-10,19-20H,11-18,21H2,1-2H3,(H,47,48);3-10,19-20H,11-18,21,44H2,1-2H3,(H,45,46);3-10,15-16,40H,11-14,17H2,1-2H3,(H,41,42);3-12,34-35H,1-2H3;2-5H,6-13H2,1H3;2-5H,6-10H2,1H3,(H,14,15);1H4
InChIKeyIZYGEAHIBUVYBC-UHFFFAOYSA-N
XLogP48.25
TPSA681.79 Ų
H-Bond Donors10
H-Bond Acceptors51
Rotatable Bonds100
Heavy Atoms293
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004356.58
LogP ≤ 548.25
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1051

Analyze 2-[2-[2-[4-[4-[2-[5-[4-[2-(2-aminoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[4-[4-[2-[5-[4-[2-(2-azidoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methane;2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-[4-[2-[5-[4-[2-(2-aminoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[4-[4-[2-[5-[4-[2-(2-azidoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methane;2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[4-[4-[2-[5-[4-[2-(2-aminoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[4-[4-[2-[5-[4-[2-(2-azidoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methane;2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]acetic acid (CID 158855085) is 2-[2-[2-[4-[4-[2-[5-[4-[2-(2-aminoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[4-[4-[2-[5-[4-[2-(2-azidoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methane;2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[4-[4-[2-[5-[4-[2-(2-aminoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[4-[4-[2-[5-[4-[2-(2-azidoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methane;2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[4-[4-[2-[5-[4-[2-(2-aminoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[4-[4-[2-[5-[4-[2-(2-azidoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methane;2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]acetic acid is C.CNCCOCCOc1ccc(-c2cc(C3=C(c4cc(-c5ccc(OCCOCCOCC(=O)O)cc5)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)cc1.Cc1ccc(S(=O)(=O)OCCOCCOCC(=O)O)cc1.Cc1ccc(S(=O)(=O)OCCOCCOCCOCCN=[N+]=[N-])cc1.Cc1sc(-c2ccc(O)cc2)cc1C1=C(c2cc(-c3ccc(O)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F.Cc1sc(-c2ccc(O)cc2)cc1C1=C(c2cc(-c3ccc(OCCOCCOCC(=O)O)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F.Cc1sc(-c2ccc(OCCOCCN)cc2)cc1C1=C(c2cc(-c3ccc(OCCOCCOCC(=O)O)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F.Cc1sc(-c2ccc(OCCOCCN=[N+]=[N-])cc2)cc1C1=C(c2cc(-c3ccc(OCCOCCOCC(=O)O)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-[2-[2-[4-[4-[2-[5-[4-[2-(2-aminoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[4-[4-[2-[5-[4-[2-(2-azidoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methane;2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]acetic acid?
The InChIKey is IZYGEAHIBUVYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39F6NO7S2.C37H35F6N3O7S2.C37H37F6NO7S2.C33H28F6O6S2.C27H18F6O2S2.C15H23N3O6S.C13H18O7S.CH4/c1-23-29(20-31(53-23)25-4-8-27(9-5-25)51-18-16-48-13-12-45-3)34-35(37(41,42)38(43,44)36(34,39)40)30-21-32(54-24(30)2)26-6-10-28(11-7-26)52-19-17-49-14-15-50-22-33(46)47;1-22-28(19-30(54-22)24-3-7-26(8-4-24)52-17-15-49-12-11-45-46-44)33-34(36(40,41)37(42,43)35(33,38)39)29-20-31(55-23(29)2)25-5-9-27(10-6-25)53-18-16-50-13-14-51-21-32(47)48;1-22-28(19-30(52-22)24-3-7-26(8-4-24)50-17-15-47-12-11-44)33-34(36(40,41)37(42,43)35(33,38)39)29-20-31(53-23(29)2)25-5-9-27(10-6-25)51-18-16-48-13-14-49-21-32(45)46;1-18-24(15-26(46-18)20-3-7-22(40)8-4-20)29-30(32(36,37)33(38,39)31(29,34)35)25-16-27(47-19(25)2)21-5-9-23(10-6-21)45-14-13-43-11-12-44-17-28(41)42;1-13-19(11-21(36-13)15-3-7-17(34)8-4-15)23-24(26(30,31)27(32,33)25(23,28)29)20-12-22(37-14(20)2)16-5-9-18(35)10-6-16;1-14-2-4-15(5-3-14)25(19,20)24-13-12-23-11-10-22-9-8-21-7-6-17-18-16;1-11-2-4-12(5-3-11)21(16,17)20-9-8-18-6-7-19-10-13(14)15;/h4-11,20-21,45H,12-19,22H2,1-3H3,(H,46,47);3-10,19-20H,11-18,21H2,1-2H3,(H,47,48);3-10,19-20H,11-18,21,44H2,1-2H3,(H,45,46);3-10,15-16,40H,11-14,17H2,1-2H3,(H,41,42);3-12,34-35H,1-2H3;2-5H,6-13H2,1H3;2-5H,6-10H2,1H3,(H,14,15);1H4.
What are the key properties of 2-[2-[2-[4-[4-[2-[5-[4-[2-(2-aminoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[4-[4-[2-[5-[4-[2-(2-azidoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methane;2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]acetic acid?
2-[2-[2-[4-[4-[2-[5-[4-[2-(2-aminoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[4-[4-[2-[5-[4-[2-(2-azidoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methane;2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]acetic acid has a molecular weight of 4356.58 g/mol, XLogP of 48.25, 100 rotatable bonds, 10 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-[4-[2-[5-[4-[2-(2-aminoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[4-[4-[2-[5-[4-[2-(2-azidoethoxy)ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenol;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-(4-hydroxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methane;2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]acetic acid is sourced from PubChem (CID 158855085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).