5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-quinolin-6-ylbutyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione

C253H244N24O49S8 — CID 158972063

IUPAC5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-quinolin-6-ylbutyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(CCC(=O)Cc4ccc5ncccc5c4)cc3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cn4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(SCC)cn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(OCC)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SC)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SC)cn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SCC)cc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C28H24N2O4.C26H26N2O6S.C26H26N2O5.C26H26N2O4S.C25H25N3O6S.C25H24N2O6S.C25H24N2O4S.C24H23N3O6S.2C24H23N3O4S/c1-17-4-11-25(26(32)13-17)30-27(33)22-9-6-18(16-23(22)28(30)34)5-8-21(31)15-19-7-10-24-20(14-19)3-2-12-29-24;1-4-35(33,34)19-9-7-18(8-10-19)22(29)12-6-17-5-11-20-21(15-17)24(31)28(23(20)30)26(3)14-13-16(2)27-25(26)32;2*1-4-33-19-9-7-18(8-10-19)22(29)12-6-17-5-11-20-21(15-17)24(31)28(23(20)30)26(3)14-13-16(2)27-25(26)32;1-4-35(33,34)17-7-9-20(26-14-17)21(29)10-6-16-5-8-18-19(13-16)23(31)28(22(18)30)25(3)12-11-15(2)27-24(25)32;1-3-34(32,33)18-9-7-17(8-10-18)22(28)13-6-16-5-11-19-20(14-16)25(31)27(24(19)30)21-12-4-15(2)26-23(21)29;1-15-12-13-25(2,24(31)26-15)27-22(29)19-10-4-16(14-20(19)23(27)30)5-11-21(28)17-6-8-18(32-3)9-7-17;1-3-34(32,33)16-7-9-19(25-13-16)21(28)11-6-15-5-8-17-18(12-15)24(31)27(23(17)30)20-10-4-14(2)26-22(20)29;1-14-10-11-24(2,23(31)26-14)27-21(29)17-7-4-15(12-18(17)22(27)30)5-9-20(28)19-8-6-16(32-3)13-25-19;1-3-32-16-7-9-19(25-13-16)21(28)11-6-15-5-8-17-18(12-15)24(31)27(23(17)30)20-10-4-14(2)26-22(20)29/h2-3,6-7,9-10,12,14,16,25H,1,4-5,8,11,13,15H2;5,7-11,15H,2,4,6,12-14H2,1,3H3,(H,27,32);2*5,7-11,15H,2,4,6,12-14H2,1,3H3,(H,27,32);5,7-9,13-14H,2,4,6,10-12H2,1,3H3,(H,27,32);5,7-11,14,21H,2-4,6,12-13H2,1H3,(H,26,29);4,6-10,14H,1,5,11-13H2,2-3H3,(H,26,31);5,7-9,12-13,20H,2-4,6,10-11H2,1H3,(H,26,29);4,6-8,12-13H,1,5,9-11H2,2-3H3,(H,26,31);5,7-9,12-13,20H,2-4,6,10-11H2,1H3,(H,26,29)/t;3*26-;25-;;25-;;24-;/m.0000.0.0./s1
InChIKeyJNXZVSNTMZYHSH-SHWOHQGWSA-N
MW4661.39 g/mol
LogP33.43
Rot. Bonds67

About 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-quinolin-6-ylbutyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione

5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-quinolin-6-ylbutyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione (PubChem CID 158972063) has the molecular formula C253H244N24O49S8 and a molecular weight of 4661.39 g/mol. Its IUPAC name is 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-quinolin-6-ylbutyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-quinolin-6-ylbutyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione
PubChem CID158972063
Molecular FormulaC253H244N24O49S8
Molecular Weight4661.39 g/mol
Exact Mass4657.51
IUPAC Name5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-quinolin-6-ylbutyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(CCC(=O)Cc4ccc5ncccc5c4)cc3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cn4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(SCC)cn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(OCC)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SC)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SC)cn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SCC)cc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C28H24N2O4.C26H26N2O6S.C26H26N2O5.C26H26N2O4S.C25H25N3O6S.C25H24N2O6S.C25H24N2O4S.C24H23N3O6S.2C24H23N3O4S/c1-17-4-11-25(26(32)13-17)30-27(33)22-9-6-18(16-23(22)28(30)34)5-8-21(31)15-19-7-10-24-20(14-19)3-2-12-29-24;1-4-35(33,34)19-9-7-18(8-10-19)22(29)12-6-17-5-11-20-21(15-17)24(31)28(23(20)30)26(3)14-13-16(2)27-25(26)32;2*1-4-33-19-9-7-18(8-10-19)22(29)12-6-17-5-11-20-21(15-17)24(31)28(23(20)30)26(3)14-13-16(2)27-25(26)32;1-4-35(33,34)17-7-9-20(26-14-17)21(29)10-6-16-5-8-18-19(13-16)23(31)28(22(18)30)25(3)12-11-15(2)27-24(25)32;1-3-34(32,33)18-9-7-17(8-10-18)22(28)13-6-16-5-11-19-20(14-16)25(31)27(24(19)30)21-12-4-15(2)26-23(21)29;1-15-12-13-25(2,24(31)26-15)27-22(29)19-10-4-16(14-20(19)23(27)30)5-11-21(28)17-6-8-18(32-3)9-7-17;1-3-34(32,33)16-7-9-19(25-13-16)21(28)11-6-15-5-8-17-18(12-15)24(31)27(23(17)30)20-10-4-14(2)26-22(20)29;1-14-10-11-24(2,23(31)26-14)27-21(29)17-7-4-15(12-18(17)22(27)30)5-9-20(28)19-8-6-16(32-3)13-25-19;1-3-32-16-7-9-19(25-13-16)21(28)11-6-15-5-8-17-18(12-15)24(31)27(23(17)30)20-10-4-14(2)26-22(20)29/h2-3,6-7,9-10,12,14,16,25H,1,4-5,8,11,13,15H2;5,7-11,15H,2,4,6,12-14H2,1,3H3,(H,27,32);2*5,7-11,15H,2,4,6,12-14H2,1,3H3,(H,27,32);5,7-9,13-14H,2,4,6,10-12H2,1,3H3,(H,27,32);5,7-11,14,21H,2-4,6,12-13H2,1H3,(H,26,29);4,6-10,14H,1,5,11-13H2,2-3H3,(H,26,31);5,7-9,12-13,20H,2-4,6,10-11H2,1H3,(H,26,29);4,6-8,12-13H,1,5,9-11H2,2-3H3,(H,26,31);5,7-9,12-13,20H,2-4,6,10-11H2,1H3,(H,26,29)/t;3*26-;25-;;25-;;24-;/m.0000.0.0./s1
InChIKeyJNXZVSNTMZYHSH-SHWOHQGWSA-N
XLogP33.43
TPSA1033.71 Ų
H-Bond Donors9
H-Bond Acceptors58
Rotatable Bonds67
Heavy Atoms334
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004661.39
LogP ≤ 533.43
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1058

Analyze 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-quinolin-6-ylbutyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione with MolForge

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What is the IUPAC name of 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-quinolin-6-ylbutyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione?
The IUPAC name of 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-quinolin-6-ylbutyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione (CID 158972063) is 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-quinolin-6-ylbutyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione.
What is the SMILES notation for 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-quinolin-6-ylbutyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione?
The canonical SMILES for 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-quinolin-6-ylbutyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3ccc(CCC(=O)Cc4ccc5ncccc5c4)cc3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cn4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(SCC)cn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(OCC)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SC)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SC)cn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SCC)cc4)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-quinolin-6-ylbutyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione?
The InChIKey is JNXZVSNTMZYHSH-SHWOHQGWSA-N. The full InChI is InChI=1S/C28H24N2O4.C26H26N2O6S.C26H26N2O5.C26H26N2O4S.C25H25N3O6S.C25H24N2O6S.C25H24N2O4S.C24H23N3O6S.2C24H23N3O4S/c1-17-4-11-25(26(32)13-17)30-27(33)22-9-6-18(16-23(22)28(30)34)5-8-21(31)15-19-7-10-24-20(14-19)3-2-12-29-24;1-4-35(33,34)19-9-7-18(8-10-19)22(29)12-6-17-5-11-20-21(15-17)24(31)28(23(20)30)26(3)14-13-16(2)27-25(26)32;2*1-4-33-19-9-7-18(8-10-19)22(29)12-6-17-5-11-20-21(15-17)24(31)28(23(20)30)26(3)14-13-16(2)27-25(26)32;1-4-35(33,34)17-7-9-20(26-14-17)21(29)10-6-16-5-8-18-19(13-16)23(31)28(22(18)30)25(3)12-11-15(2)27-24(25)32;1-3-34(32,33)18-9-7-17(8-10-18)22(28)13-6-16-5-11-19-20(14-16)25(31)27(24(19)30)21-12-4-15(2)26-23(21)29;1-15-12-13-25(2,24(31)26-15)27-22(29)19-10-4-16(14-20(19)23(27)30)5-11-21(28)17-6-8-18(32-3)9-7-17;1-3-34(32,33)16-7-9-19(25-13-16)21(28)11-6-15-5-8-17-18(12-15)24(31)27(23(17)30)20-10-4-14(2)26-22(20)29;1-14-10-11-24(2,23(31)26-14)27-21(29)17-7-4-15(12-18(17)22(27)30)5-9-20(28)19-8-6-16(32-3)13-25-19;1-3-32-16-7-9-19(25-13-16)21(28)11-6-15-5-8-17-18(12-15)24(31)27(23(17)30)20-10-4-14(2)26-22(20)29/h2-3,6-7,9-10,12,14,16,25H,1,4-5,8,11,13,15H2;5,7-11,15H,2,4,6,12-14H2,1,3H3,(H,27,32);2*5,7-11,15H,2,4,6,12-14H2,1,3H3,(H,27,32);5,7-9,13-14H,2,4,6,10-12H2,1,3H3,(H,27,32);5,7-11,14,21H,2-4,6,12-13H2,1H3,(H,26,29);4,6-10,14H,1,5,11-13H2,2-3H3,(H,26,31);5,7-9,12-13,20H,2-4,6,10-11H2,1H3,(H,26,29);4,6-8,12-13H,1,5,9-11H2,2-3H3,(H,26,31);5,7-9,12-13,20H,2-4,6,10-11H2,1H3,(H,26,29)/t;3*26-;25-;;25-;;24-;/m.0000.0.0./s1.
What are the key properties of 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-quinolin-6-ylbutyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione?
5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-quinolin-6-ylbutyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione has a molecular weight of 4661.39 g/mol, XLogP of 33.43, 67 rotatable bonds, 9 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-quinolin-6-ylbutyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione is sourced from PubChem (CID 158972063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).