3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;1-(3-chloro-4-methylphenyl)-3-[[5-(2,4-dioxocyclohexyl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-(3-chloro-4-methylphenyl)-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;5-[(1S)-4-methylidene-2-oxocycloheptyl]-3-[4-(4-methyl-3-propan-2-ylphenyl)-3-oxobutyl]-4H-thieno[3,4-c]pyrrol-6-one;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-(6-methyl-3-pyridinyl)propanamide;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide

C195H207Cl5F3N17O25S8 — CID 157133283

IUPAC3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;1-(3-chloro-4-methylphenyl)-3-[[5-(2,4-dioxocyclohexyl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-(3-chloro-4-methylphenyl)-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;5-[(1S)-4-methylidene-2-oxocycloheptyl]-3-[4-(4-methyl-3-propan-2-ylphenyl)-3-oxobutyl]-4H-thieno[3,4-c]pyrrol-6-one;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-(6-methyl-3-pyridinyl)propanamide;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide
SMILESC=C1CCC[C@H](N2Cc3c(csc3CCC(=O)Cc3cc(Cl)c(C)cc3C)C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3c(csc3CCC(=O)Cc3ccc(C)c(C(C)C)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)Nc3ccc(C)c(C(F)(F)F)c3)C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3c(csc3CCC(=O)Nc3ccc(C)nc3)C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3cc(CNC(=O)NCc4ccc(C)c(Cl)c4)sc3C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3cc(CNC(=O)Nc4ccc(C)c(Cl)c4)sc3C2=O)C(=O)C1.Cc1ccc(NC(=O)NCc2cc3c(s2)C(=O)N(C2CCC(=O)CC2=O)C3)cc1Cl
InChIInChI=1S/C28H33NO3S.C26H28ClNO3S.C25H26ClNO3S.C25H25F3N2O3S.C24H26ClN3O3S.C23H24ClN3O3S.C23H25N3O3S.C21H20ClN3O4S/c1-17(2)22-14-20(9-8-19(22)4)13-21(30)10-11-27-23-15-29(28(32)24(23)16-33-27)25-7-5-6-18(3)12-26(25)31;1-15-5-4-6-23(24(30)9-15)28-13-20-21(26(28)31)14-32-25(20)8-7-19(29)11-18-12-22(27)17(3)10-16(18)2;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;1-14-4-3-5-20(21(31)10-14)30-12-17-18(24(30)33)13-34-22(17)8-9-23(32)29-16-7-6-15(2)19(11-16)25(26,27)28;1-14-4-3-5-20(21(29)8-14)28-13-17-10-18(32-22(17)23(28)30)12-27-24(31)26-11-16-7-6-15(2)19(25)9-16;1-13-4-3-5-19(20(28)8-13)27-12-15-9-17(31-21(15)22(27)29)11-25-23(30)26-16-7-6-14(2)18(24)10-16;1-14-4-3-5-19(20(27)10-14)26-12-17-18(23(26)29)13-30-21(17)8-9-22(28)25-16-7-6-15(2)24-11-16;1-11-2-3-13(7-16(11)22)24-21(29)23-9-15-6-12-10-25(20(28)19(12)30-15)17-5-4-14(26)8-18(17)27/h8-9,14,16-17,25H,3,5-7,10-13,15H2,1-2,4H3;10,12,14,23H,1,4-9,11,13H2,2-3H3;6-7,12,14,22H,1,3-5,8-11,13H2,2H3;6-7,11,13,20H,1,3-5,8-10,12H2,2H3,(H,29,32);6-7,9-10,20H,1,3-5,8,11-13H2,2H3,(H2,26,27,31);6-7,9-10,19H,1,3-5,8,11-12H2,2H3,(H2,25,26,30);6-7,11,13,19H,1,3-5,8-10,12H2,2H3,(H,25,28);2-3,6-7,17H,4-5,8-10H2,1H3,(H2,23,24,29)/t25-;23-;22-;2*20-;2*19-;/m0000000./s1
InChIKeyAJIALYKKXJZIPD-MGLTUZNPSA-N
MW3679.69 g/mol
LogP40.40
Rot. Bonds42

About 3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;1-(3-chloro-4-methylphenyl)-3-[[5-(2,4-dioxocyclohexyl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-(3-chloro-4-methylphenyl)-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;5-[(1S)-4-methylidene-2-oxocycloheptyl]-3-[4-(4-methyl-3-propan-2-ylphenyl)-3-oxobutyl]-4H-thieno[3,4-c]pyrrol-6-one;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-(6-methyl-3-pyridinyl)propanamide;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide

3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;1-(3-chloro-4-methylphenyl)-3-[[5-(2,4-dioxocyclohexyl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-(3-chloro-4-methylphenyl)-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;5-[(1S)-4-methylidene-2-oxocycloheptyl]-3-[4-(4-methyl-3-propan-2-ylphenyl)-3-oxobutyl]-4H-thieno[3,4-c]pyrrol-6-one;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-(6-methyl-3-pyridinyl)propanamide;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 157133283) has the molecular formula C195H207Cl5F3N17O25S8 and a molecular weight of 3679.69 g/mol. Its IUPAC name is 3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;1-(3-chloro-4-methylphenyl)-3-[[5-(2,4-dioxocyclohexyl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-(3-chloro-4-methylphenyl)-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;5-[(1S)-4-methylidene-2-oxocycloheptyl]-3-[4-(4-methyl-3-propan-2-ylphenyl)-3-oxobutyl]-4H-thieno[3,4-c]pyrrol-6-one;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-(6-methyl-3-pyridinyl)propanamide;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;1-(3-chloro-4-methylphenyl)-3-[[5-(2,4-dioxocyclohexyl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-(3-chloro-4-methylphenyl)-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;5-[(1S)-4-methylidene-2-oxocycloheptyl]-3-[4-(4-methyl-3-propan-2-ylphenyl)-3-oxobutyl]-4H-thieno[3,4-c]pyrrol-6-one;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-(6-methyl-3-pyridinyl)propanamide;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide
PubChem CID157133283
Molecular FormulaC195H207Cl5F3N17O25S8
Molecular Weight3679.69 g/mol
Exact Mass3674.16
IUPAC Name3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;1-(3-chloro-4-methylphenyl)-3-[[5-(2,4-dioxocyclohexyl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-(3-chloro-4-methylphenyl)-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;5-[(1S)-4-methylidene-2-oxocycloheptyl]-3-[4-(4-methyl-3-propan-2-ylphenyl)-3-oxobutyl]-4H-thieno[3,4-c]pyrrol-6-one;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-(6-methyl-3-pyridinyl)propanamide;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide
SMILESC=C1CCC[C@H](N2Cc3c(csc3CCC(=O)Cc3cc(Cl)c(C)cc3C)C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3c(csc3CCC(=O)Cc3ccc(C)c(C(C)C)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)Nc3ccc(C)c(C(F)(F)F)c3)C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3c(csc3CCC(=O)Nc3ccc(C)nc3)C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3cc(CNC(=O)NCc4ccc(C)c(Cl)c4)sc3C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3cc(CNC(=O)Nc4ccc(C)c(Cl)c4)sc3C2=O)C(=O)C1.Cc1ccc(NC(=O)NCc2cc3c(s2)C(=O)N(C2CCC(=O)CC2=O)C3)cc1Cl
InChIInChI=1S/C28H33NO3S.C26H28ClNO3S.C25H26ClNO3S.C25H25F3N2O3S.C24H26ClN3O3S.C23H24ClN3O3S.C23H25N3O3S.C21H20ClN3O4S/c1-17(2)22-14-20(9-8-19(22)4)13-21(30)10-11-27-23-15-29(28(32)24(23)16-33-27)25-7-5-6-18(3)12-26(25)31;1-15-5-4-6-23(24(30)9-15)28-13-20-21(26(28)31)14-32-25(20)8-7-19(29)11-18-12-22(27)17(3)10-16(18)2;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;1-14-4-3-5-20(21(31)10-14)30-12-17-18(24(30)33)13-34-22(17)8-9-23(32)29-16-7-6-15(2)19(11-16)25(26,27)28;1-14-4-3-5-20(21(29)8-14)28-13-17-10-18(32-22(17)23(28)30)12-27-24(31)26-11-16-7-6-15(2)19(25)9-16;1-13-4-3-5-19(20(28)8-13)27-12-15-9-17(31-21(15)22(27)29)11-25-23(30)26-16-7-6-14(2)18(24)10-16;1-14-4-3-5-19(20(27)10-14)26-12-17-18(23(26)29)13-30-21(17)8-9-22(28)25-16-7-6-15(2)24-11-16;1-11-2-3-13(7-16(11)22)24-21(29)23-9-15-6-12-10-25(20(28)19(12)30-15)17-5-4-14(26)8-18(17)27/h8-9,14,16-17,25H,3,5-7,10-13,15H2,1-2,4H3;10,12,14,23H,1,4-9,11,13H2,2-3H3;6-7,12,14,22H,1,3-5,8-11,13H2,2H3;6-7,11,13,20H,1,3-5,8-10,12H2,2H3,(H,29,32);6-7,9-10,20H,1,3-5,8,11-13H2,2H3,(H2,26,27,31);6-7,9-10,19H,1,3-5,8,11-12H2,2H3,(H2,25,26,30);6-7,11,13,19H,1,3-5,8-10,12H2,2H3,(H,25,28);2-3,6-7,17H,4-5,8-10H2,1H3,(H2,23,24,29)/t25-;23-;22-;2*20-;2*19-;/m0000000./s1
InChIKeyAJIALYKKXJZIPD-MGLTUZNPSA-N
XLogP40.40
TPSA561.80 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds42
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003679.69
LogP ≤ 540.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;1-(3-chloro-4-methylphenyl)-3-[[5-(2,4-dioxocyclohexyl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-(3-chloro-4-methylphenyl)-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;5-[(1S)-4-methylidene-2-oxocycloheptyl]-3-[4-(4-methyl-3-propan-2-ylphenyl)-3-oxobutyl]-4H-thieno[3,4-c]pyrrol-6-one;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-(6-methyl-3-pyridinyl)propanamide;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide with MolForge

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Related Compounds

3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one
CID 157133290
1-[3-chloro-4-(trifluoromethyl)phenyl]-3-[[5-(4-methylidene-2-oxocycloheptyl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]urea
CID 160671344
1-[[5-(4-methylidene-2-oxocyclohexyl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 158245575
1-(3-chloro-4-methyl-5-propan-2-ylphenyl)-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]urea
CID 157281457
4-[3-[5-(3-chloro-4-methylphenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]cyclohexane-1,3-dione
CID 157060395
1-(3-chloro-4-methoxyphenyl)-3-[[2-(4-methylidene-2-oxocycloheptyl)-1-oxo-3H-isoindol-5-yl]methyl]urea;2-(3-chloro-4-methylphenyl)-N-[[2-(4-methylidene-2-oxocycloheptyl)-1-oxo-3H-isoindol-5-yl]methyl]acetamide;N-[[2-(4-methylidene-2-oxocycloheptyl)-1-oxo-3H-isoindol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 158762835
1-(3-chloro-4-methylphenyl)-3-[[2-(4-methylidene-2-oxocycloheptyl)-1-oxo-3H-isoindol-4-yl]methyl]urea;1-[(3-chloro-4-methylphenyl)methyl]-3-[[2-(4-methylidene-2-oxocycloheptyl)-1-oxo-3H-isoindol-5-yl]methyl]urea;1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(4-methylidene-2-oxocycloheptyl)-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 161266045
1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-2,4-dioxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]methyl]urea
CID 165071740
1-(3-chloro-4-methylphenyl)-3-[[2-(4-methylidene-2-oxocycloheptyl)-1-oxo-3H-isoindol-5-yl]methyl]thiourea
CID 158256927
2-(3-chloro-4-methoxyphenyl)-N-[[2-(4-methylidene-2-oxocycloheptyl)-1-oxo-3H-isoindol-5-yl]methyl]acetamide;1-(3-chloro-4-methylphenyl)-3-[[2-(4-methylidene-2-oxocycloheptyl)-1-oxo-3H-isoindol-5-yl]methyl]urea;N-[[2-(4-methylidene-2-oxocycloheptyl)-1-oxo-3H-isoindol-5-yl]methyl]-2-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]acetamide;N-[[2-(4-methylidene-2-oxocycloheptyl)-1-oxo-3H-isoindol-5-yl]methyl]-2-[3-(morpholin-4-ylmethyl)phenyl]acetamide
CID 159705723
1-(3-chloro-4-methylphenyl)-3-[[2-(2,4-dioxocycloheptyl)-1-oxo-3H-isoindol-5-yl]methyl]thiourea
CID 157208119
1-[[5-[(3S)-2,7-dioxoazepan-3-yl]-6-methylidene-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 157281454

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;1-(3-chloro-4-methylphenyl)-3-[[5-(2,4-dioxocyclohexyl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-(3-chloro-4-methylphenyl)-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;5-[(1S)-4-methylidene-2-oxocycloheptyl]-3-[4-(4-methyl-3-propan-2-ylphenyl)-3-oxobutyl]-4H-thieno[3,4-c]pyrrol-6-one;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-(6-methyl-3-pyridinyl)propanamide;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;1-(3-chloro-4-methylphenyl)-3-[[5-(2,4-dioxocyclohexyl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-(3-chloro-4-methylphenyl)-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;5-[(1S)-4-methylidene-2-oxocycloheptyl]-3-[4-(4-methyl-3-propan-2-ylphenyl)-3-oxobutyl]-4H-thieno[3,4-c]pyrrol-6-one;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-(6-methyl-3-pyridinyl)propanamide;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide (CID 157133283) is 3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;1-(3-chloro-4-methylphenyl)-3-[[5-(2,4-dioxocyclohexyl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-(3-chloro-4-methylphenyl)-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;5-[(1S)-4-methylidene-2-oxocycloheptyl]-3-[4-(4-methyl-3-propan-2-ylphenyl)-3-oxobutyl]-4H-thieno[3,4-c]pyrrol-6-one;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-(6-methyl-3-pyridinyl)propanamide;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;1-(3-chloro-4-methylphenyl)-3-[[5-(2,4-dioxocyclohexyl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-(3-chloro-4-methylphenyl)-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;5-[(1S)-4-methylidene-2-oxocycloheptyl]-3-[4-(4-methyl-3-propan-2-ylphenyl)-3-oxobutyl]-4H-thieno[3,4-c]pyrrol-6-one;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-(6-methyl-3-pyridinyl)propanamide;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;1-(3-chloro-4-methylphenyl)-3-[[5-(2,4-dioxocyclohexyl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-(3-chloro-4-methylphenyl)-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;5-[(1S)-4-methylidene-2-oxocycloheptyl]-3-[4-(4-methyl-3-propan-2-ylphenyl)-3-oxobutyl]-4H-thieno[3,4-c]pyrrol-6-one;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-(6-methyl-3-pyridinyl)propanamide;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide is C=C1CCC[C@H](N2Cc3c(csc3CCC(=O)Cc3cc(Cl)c(C)cc3C)C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3c(csc3CCC(=O)Cc3ccc(C)c(C(C)C)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)Nc3ccc(C)c(C(F)(F)F)c3)C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3c(csc3CCC(=O)Nc3ccc(C)nc3)C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3cc(CNC(=O)NCc4ccc(C)c(Cl)c4)sc3C2=O)C(=O)C1.C=C1CCC[C@H](N2Cc3cc(CNC(=O)Nc4ccc(C)c(Cl)c4)sc3C2=O)C(=O)C1.Cc1ccc(NC(=O)NCc2cc3c(s2)C(=O)N(C2CCC(=O)CC2=O)C3)cc1Cl.
What is the InChIKey of 3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;1-(3-chloro-4-methylphenyl)-3-[[5-(2,4-dioxocyclohexyl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-(3-chloro-4-methylphenyl)-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;5-[(1S)-4-methylidene-2-oxocycloheptyl]-3-[4-(4-methyl-3-propan-2-ylphenyl)-3-oxobutyl]-4H-thieno[3,4-c]pyrrol-6-one;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-(6-methyl-3-pyridinyl)propanamide;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is AJIALYKKXJZIPD-MGLTUZNPSA-N. The full InChI is InChI=1S/C28H33NO3S.C26H28ClNO3S.C25H26ClNO3S.C25H25F3N2O3S.C24H26ClN3O3S.C23H24ClN3O3S.C23H25N3O3S.C21H20ClN3O4S/c1-17(2)22-14-20(9-8-19(22)4)13-21(30)10-11-27-23-15-29(28(32)24(23)16-33-27)25-7-5-6-18(3)12-26(25)31;1-15-5-4-6-23(24(30)9-15)28-13-20-21(26(28)31)14-32-25(20)8-7-19(29)11-18-12-22(27)17(3)10-16(18)2;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;1-14-4-3-5-20(21(31)10-14)30-12-17-18(24(30)33)13-34-22(17)8-9-23(32)29-16-7-6-15(2)19(11-16)25(26,27)28;1-14-4-3-5-20(21(29)8-14)28-13-17-10-18(32-22(17)23(28)30)12-27-24(31)26-11-16-7-6-15(2)19(25)9-16;1-13-4-3-5-19(20(28)8-13)27-12-15-9-17(31-21(15)22(27)29)11-25-23(30)26-16-7-6-14(2)18(24)10-16;1-14-4-3-5-19(20(27)10-14)26-12-17-18(23(26)29)13-30-21(17)8-9-22(28)25-16-7-6-15(2)24-11-16;1-11-2-3-13(7-16(11)22)24-21(29)23-9-15-6-12-10-25(20(28)19(12)30-15)17-5-4-14(26)8-18(17)27/h8-9,14,16-17,25H,3,5-7,10-13,15H2,1-2,4H3;10,12,14,23H,1,4-9,11,13H2,2-3H3;6-7,12,14,22H,1,3-5,8-11,13H2,2H3;6-7,11,13,20H,1,3-5,8-10,12H2,2H3,(H,29,32);6-7,9-10,20H,1,3-5,8,11-13H2,2H3,(H2,26,27,31);6-7,9-10,19H,1,3-5,8,11-12H2,2H3,(H2,25,26,30);6-7,11,13,19H,1,3-5,8-10,12H2,2H3,(H,25,28);2-3,6-7,17H,4-5,8-10H2,1H3,(H2,23,24,29)/t25-;23-;22-;2*20-;2*19-;/m0000000./s1.
What are the key properties of 3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;1-(3-chloro-4-methylphenyl)-3-[[5-(2,4-dioxocyclohexyl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-(3-chloro-4-methylphenyl)-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;5-[(1S)-4-methylidene-2-oxocycloheptyl]-3-[4-(4-methyl-3-propan-2-ylphenyl)-3-oxobutyl]-4H-thieno[3,4-c]pyrrol-6-one;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-(6-methyl-3-pyridinyl)propanamide;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide?
3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;1-(3-chloro-4-methylphenyl)-3-[[5-(2,4-dioxocyclohexyl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-(3-chloro-4-methylphenyl)-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;5-[(1S)-4-methylidene-2-oxocycloheptyl]-3-[4-(4-methyl-3-propan-2-ylphenyl)-3-oxobutyl]-4H-thieno[3,4-c]pyrrol-6-one;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-(6-methyl-3-pyridinyl)propanamide;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 3679.69 g/mol, XLogP of 40.40, 42 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;1-(3-chloro-4-methylphenyl)-3-[[5-(2,4-dioxocyclohexyl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-(3-chloro-4-methylphenyl)-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;5-[(1S)-4-methylidene-2-oxocycloheptyl]-3-[4-(4-methyl-3-propan-2-ylphenyl)-3-oxobutyl]-4H-thieno[3,4-c]pyrrol-6-one;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-(6-methyl-3-pyridinyl)propanamide;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 157133283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).