(4S)-4-(3-chloro-1-methyl-4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione;tris(3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one);3-cyclopentyl-5-(4-methylidene-2-oxocyclohexyl)thieno[2,3-c]pyrrole-4,6-dione;2-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[2,3-c]pyrrole-4,6-dione;3-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione;(4S)-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)cycloheptane-1,3-dione;3-(difluoromethyl)-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-[(1S)-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one

C201H213Cl4F2N13O30S11 — CID 158869428

IUPAC(4S)-4-(3-chloro-1-methyl-4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione;tris(3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one);3-cyclopentyl-5-(4-methylidene-2-oxocyclohexyl)thieno[2,3-c]pyrrole-4,6-dione;2-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[2,3-c]pyrrole-4,6-dione;3-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione;(4S)-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)cycloheptane-1,3-dione;3-(difluoromethyl)-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-[(1S)-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one
SMILESC=C1CCC(N2C(=O)c3cc(C4CCCC4)sc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3csc(C4CCCC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3scc(C4CCCC4)c3C2=O)C(=O)C1.C=C1CCC(N2Cc3c(csc3C(F)F)C2=O)C(=O)C1.C=C1CCC(N2Cc3c(csc3C)C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3c(csc3CCC(=O)Cc3ccc(C)c(Cl)c3)C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3c(csc3CCC(=O)Cc3ccc(C)c(Cl)c3)C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3c(csc3CCC(=O)Cc3ccc(C)c(Cl)c3)C2=O)C(=O)C1.Cc1sc(Cl)c2c1CN([C@H]1CCCC(=O)CC1=O)C2=O.Cc1scc2c1CN([C@H]1CCCCCC1=O)C2=O.O=C1CCC[C@H](N2Cc3c(C4CCCC4)csc3C2=O)C(=O)C1
InChIInChI=1S/3C25H26ClNO3S.C18H19NO3S.C18H21NO3S.2C17H18N2O3S.C14H14ClNO3S.C14H13F2NO2S.C14H15NO2S.C14H17NO2S/c3*1-15-4-3-5-22(23(29)10-15)27-13-19-20(25(27)30)14-31-24(19)9-8-18(28)11-17-7-6-16(2)21(26)12-17;1-10-6-7-13(14(20)8-10)19-17(21)15-12(11-4-2-3-5-11)9-23-16(15)18(19)22;20-12-6-3-7-15(16(21)8-12)19-9-13-14(11-4-1-2-5-11)10-23-17(13)18(19)22;1-9-6-7-12(15(20)18-9)19-16(21)11-8-23-14(13(11)17(19)22)10-4-2-3-5-10;1-9-6-7-12(15(20)18-9)19-16(21)11-8-13(10-4-2-3-5-10)23-14(11)17(19)22;1-7-9-6-16(14(19)12(9)13(15)20-7)10-4-2-3-8(17)5-11(10)18;1-7-2-3-10(11(18)4-7)17-5-8-9(14(17)19)6-20-12(8)13(15)16;1-8-3-4-12(13(16)5-8)15-6-10-9(2)18-7-11(10)14(15)17;1-9-10-7-15(14(17)11(10)8-18-9)12-5-3-2-4-6-13(12)16/h3*6-7,12,14,22H,1,3-5,8-11,13H2,2H3;9,11,13H,1-8H2;10-11,15H,1-9H2;2*8,10,12H,1-7H2,(H,18,20);10H,2-6H2,1H3;6,10,13H,1-5H2;7,12H,1,3-6H2,2H3;8,12H,2-7H2,1H3/t3*22-;;15-;;;10-;;;12-/m000.0..0..0/s1
InChIKeyJBQPWKFTZXSNBC-RUWNRXPSSA-N
MW3823.52 g/mol
LogP40.81
Rot. Bonds31

About (4S)-4-(3-chloro-1-methyl-4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione;tris(3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one);3-cyclopentyl-5-(4-methylidene-2-oxocyclohexyl)thieno[2,3-c]pyrrole-4,6-dione;2-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[2,3-c]pyrrole-4,6-dione;3-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione;(4S)-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)cycloheptane-1,3-dione;3-(difluoromethyl)-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-[(1S)-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one

(4S)-4-(3-chloro-1-methyl-4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione;tris(3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one);3-cyclopentyl-5-(4-methylidene-2-oxocyclohexyl)thieno[2,3-c]pyrrole-4,6-dione;2-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[2,3-c]pyrrole-4,6-dione;3-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione;(4S)-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)cycloheptane-1,3-dione;3-(difluoromethyl)-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-[(1S)-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one (PubChem CID 158869428) has the molecular formula C201H213Cl4F2N13O30S11 and a molecular weight of 3823.52 g/mol. Its IUPAC name is (4S)-4-(3-chloro-1-methyl-4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione;tris(3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one);3-cyclopentyl-5-(4-methylidene-2-oxocyclohexyl)thieno[2,3-c]pyrrole-4,6-dione;2-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[2,3-c]pyrrole-4,6-dione;3-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione;(4S)-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)cycloheptane-1,3-dione;3-(difluoromethyl)-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-[(1S)-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one.

Molecular Properties

Compound Name(4S)-4-(3-chloro-1-methyl-4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione;tris(3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one);3-cyclopentyl-5-(4-methylidene-2-oxocyclohexyl)thieno[2,3-c]pyrrole-4,6-dione;2-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[2,3-c]pyrrole-4,6-dione;3-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione;(4S)-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)cycloheptane-1,3-dione;3-(difluoromethyl)-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-[(1S)-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one
PubChem CID158869428
Molecular FormulaC201H213Cl4F2N13O30S11
Molecular Weight3823.52 g/mol
Exact Mass3818.12
IUPAC Name(4S)-4-(3-chloro-1-methyl-4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione;tris(3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one);3-cyclopentyl-5-(4-methylidene-2-oxocyclohexyl)thieno[2,3-c]pyrrole-4,6-dione;2-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[2,3-c]pyrrole-4,6-dione;3-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione;(4S)-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)cycloheptane-1,3-dione;3-(difluoromethyl)-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-[(1S)-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one
SMILESC=C1CCC(N2C(=O)c3cc(C4CCCC4)sc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3csc(C4CCCC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3scc(C4CCCC4)c3C2=O)C(=O)C1.C=C1CCC(N2Cc3c(csc3C(F)F)C2=O)C(=O)C1.C=C1CCC(N2Cc3c(csc3C)C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3c(csc3CCC(=O)Cc3ccc(C)c(Cl)c3)C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3c(csc3CCC(=O)Cc3ccc(C)c(Cl)c3)C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3c(csc3CCC(=O)Cc3ccc(C)c(Cl)c3)C2=O)C(=O)C1.Cc1sc(Cl)c2c1CN([C@H]1CCCC(=O)CC1=O)C2=O.Cc1scc2c1CN([C@H]1CCCCCC1=O)C2=O.O=C1CCC[C@H](N2Cc3c(C4CCCC4)csc3C2=O)C(=O)C1
InChIInChI=1S/3C25H26ClNO3S.C18H19NO3S.C18H21NO3S.2C17H18N2O3S.C14H14ClNO3S.C14H13F2NO2S.C14H15NO2S.C14H17NO2S/c3*1-15-4-3-5-22(23(29)10-15)27-13-19-20(25(27)30)14-31-24(19)9-8-18(28)11-17-7-6-16(2)21(26)12-17;1-10-6-7-13(14(20)8-10)19-17(21)15-12(11-4-2-3-5-11)9-23-16(15)18(19)22;20-12-6-3-7-15(16(21)8-12)19-9-13-14(11-4-1-2-5-11)10-23-17(13)18(19)22;1-9-6-7-12(15(20)18-9)19-16(21)11-8-23-14(13(11)17(19)22)10-4-2-3-5-10;1-9-6-7-12(15(20)18-9)19-16(21)11-8-13(10-4-2-3-5-10)23-14(11)17(19)22;1-7-9-6-16(14(19)12(9)13(15)20-7)10-4-2-3-8(17)5-11(10)18;1-7-2-3-10(11(18)4-7)17-5-8-9(14(17)19)6-20-12(8)13(15)16;1-8-3-4-12(13(16)5-8)15-6-10-9(2)18-7-11(10)14(15)17;1-9-10-7-15(14(17)11(10)8-18-9)12-5-3-2-4-6-13(12)16/h3*6-7,12,14,22H,1,3-5,8-11,13H2,2H3;9,11,13H,1-8H2;10-11,15H,1-9H2;2*8,10,12H,1-7H2,(H,18,20);10H,2-6H2,1H3;6,10,13H,1-5H2;7,12H,1,3-6H2,2H3;8,12H,2-7H2,1H3/t3*22-;;15-;;;10-;;;12-/m000.0..0..0/s1
InChIKeyJBQPWKFTZXSNBC-RUWNRXPSSA-N
XLogP40.81
TPSA571.80 Ų
H-Bond Donors2
H-Bond Acceptors41
Rotatable Bonds31
Heavy Atoms261
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003823.52
LogP ≤ 540.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1041

Analyze (4S)-4-(3-chloro-1-methyl-4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione;tris(3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one);3-cyclopentyl-5-(4-methylidene-2-oxocyclohexyl)thieno[2,3-c]pyrrole-4,6-dione;2-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[2,3-c]pyrrole-4,6-dione;3-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione;(4S)-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)cycloheptane-1,3-dione;3-(difluoromethyl)-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-[(1S)-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-chloro-1-methyl-4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione;tris(3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one);3-cyclopentyl-5-(4-methylidene-2-oxocyclohexyl)thieno[2,3-c]pyrrole-4,6-dione;2-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[2,3-c]pyrrole-4,6-dione;3-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione;(4S)-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)cycloheptane-1,3-dione;3-(difluoromethyl)-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-[(1S)-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one?
The IUPAC name of (4S)-4-(3-chloro-1-methyl-4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione;tris(3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one);3-cyclopentyl-5-(4-methylidene-2-oxocyclohexyl)thieno[2,3-c]pyrrole-4,6-dione;2-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[2,3-c]pyrrole-4,6-dione;3-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione;(4S)-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)cycloheptane-1,3-dione;3-(difluoromethyl)-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-[(1S)-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one (CID 158869428) is (4S)-4-(3-chloro-1-methyl-4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione;tris(3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one);3-cyclopentyl-5-(4-methylidene-2-oxocyclohexyl)thieno[2,3-c]pyrrole-4,6-dione;2-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[2,3-c]pyrrole-4,6-dione;3-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione;(4S)-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)cycloheptane-1,3-dione;3-(difluoromethyl)-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-[(1S)-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one.
What is the SMILES notation for (4S)-4-(3-chloro-1-methyl-4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione;tris(3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one);3-cyclopentyl-5-(4-methylidene-2-oxocyclohexyl)thieno[2,3-c]pyrrole-4,6-dione;2-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[2,3-c]pyrrole-4,6-dione;3-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione;(4S)-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)cycloheptane-1,3-dione;3-(difluoromethyl)-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-[(1S)-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one?
The canonical SMILES for (4S)-4-(3-chloro-1-methyl-4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione;tris(3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one);3-cyclopentyl-5-(4-methylidene-2-oxocyclohexyl)thieno[2,3-c]pyrrole-4,6-dione;2-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[2,3-c]pyrrole-4,6-dione;3-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione;(4S)-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)cycloheptane-1,3-dione;3-(difluoromethyl)-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-[(1S)-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one is C=C1CCC(N2C(=O)c3cc(C4CCCC4)sc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3csc(C4CCCC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3scc(C4CCCC4)c3C2=O)C(=O)C1.C=C1CCC(N2Cc3c(csc3C(F)F)C2=O)C(=O)C1.C=C1CCC(N2Cc3c(csc3C)C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3c(csc3CCC(=O)Cc3ccc(C)c(Cl)c3)C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3c(csc3CCC(=O)Cc3ccc(C)c(Cl)c3)C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3c(csc3CCC(=O)Cc3ccc(C)c(Cl)c3)C2=O)C(=O)C1.Cc1sc(Cl)c2c1CN([C@H]1CCCC(=O)CC1=O)C2=O.Cc1scc2c1CN([C@H]1CCCCCC1=O)C2=O.O=C1CCC[C@H](N2Cc3c(C4CCCC4)csc3C2=O)C(=O)C1.
What is the InChIKey of (4S)-4-(3-chloro-1-methyl-4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione;tris(3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one);3-cyclopentyl-5-(4-methylidene-2-oxocyclohexyl)thieno[2,3-c]pyrrole-4,6-dione;2-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[2,3-c]pyrrole-4,6-dione;3-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione;(4S)-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)cycloheptane-1,3-dione;3-(difluoromethyl)-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-[(1S)-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one?
The InChIKey is JBQPWKFTZXSNBC-RUWNRXPSSA-N. The full InChI is InChI=1S/3C25H26ClNO3S.C18H19NO3S.C18H21NO3S.2C17H18N2O3S.C14H14ClNO3S.C14H13F2NO2S.C14H15NO2S.C14H17NO2S/c3*1-15-4-3-5-22(23(29)10-15)27-13-19-20(25(27)30)14-31-24(19)9-8-18(28)11-17-7-6-16(2)21(26)12-17;1-10-6-7-13(14(20)8-10)19-17(21)15-12(11-4-2-3-5-11)9-23-16(15)18(19)22;20-12-6-3-7-15(16(21)8-12)19-9-13-14(11-4-1-2-5-11)10-23-17(13)18(19)22;1-9-6-7-12(15(20)18-9)19-16(21)11-8-23-14(13(11)17(19)22)10-4-2-3-5-10;1-9-6-7-12(15(20)18-9)19-16(21)11-8-13(10-4-2-3-5-10)23-14(11)17(19)22;1-7-9-6-16(14(19)12(9)13(15)20-7)10-4-2-3-8(17)5-11(10)18;1-7-2-3-10(11(18)4-7)17-5-8-9(14(17)19)6-20-12(8)13(15)16;1-8-3-4-12(13(16)5-8)15-6-10-9(2)18-7-11(10)14(15)17;1-9-10-7-15(14(17)11(10)8-18-9)12-5-3-2-4-6-13(12)16/h3*6-7,12,14,22H,1,3-5,8-11,13H2,2H3;9,11,13H,1-8H2;10-11,15H,1-9H2;2*8,10,12H,1-7H2,(H,18,20);10H,2-6H2,1H3;6,10,13H,1-5H2;7,12H,1,3-6H2,2H3;8,12H,2-7H2,1H3/t3*22-;;15-;;;10-;;;12-/m000.0..0..0/s1.
What are the key properties of (4S)-4-(3-chloro-1-methyl-4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione;tris(3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one);3-cyclopentyl-5-(4-methylidene-2-oxocyclohexyl)thieno[2,3-c]pyrrole-4,6-dione;2-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[2,3-c]pyrrole-4,6-dione;3-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione;(4S)-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)cycloheptane-1,3-dione;3-(difluoromethyl)-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-[(1S)-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one?
(4S)-4-(3-chloro-1-methyl-4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione;tris(3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one);3-cyclopentyl-5-(4-methylidene-2-oxocyclohexyl)thieno[2,3-c]pyrrole-4,6-dione;2-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[2,3-c]pyrrole-4,6-dione;3-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione;(4S)-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)cycloheptane-1,3-dione;3-(difluoromethyl)-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-[(1S)-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one has a molecular weight of 3823.52 g/mol, XLogP of 40.81, 31 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-chloro-1-methyl-4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione;tris(3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one);3-cyclopentyl-5-(4-methylidene-2-oxocyclohexyl)thieno[2,3-c]pyrrole-4,6-dione;2-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[2,3-c]pyrrole-4,6-dione;3-cyclopentyl-5-(6-methylidene-2-oxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione;(4S)-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)cycloheptane-1,3-dione;3-(difluoromethyl)-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-(4-methylidene-2-oxocyclohexyl)-4H-thieno[3,4-c]pyrrol-6-one;3-methyl-5-[(1S)-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one is sourced from PubChem (CID 158869428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).