6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-2-methyl-1-(4-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(4-propan-2-ylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;methane

C131H146Br2F12N18O28S2 — CID 157132782

IUPAC6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-2-methyl-1-(4-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(4-propan-2-ylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;methane
SMILESC.C.C.C.C.C.CC(C)c1coc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(F)(F)F)c1.CC[C@@H](Nc1c(Nc2ccc(Br)c(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1.Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(F)(F)F)o1.Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(F)(F)F)s1.Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(F)(F)F)o1.Cc1csc([C@H](Nc2c(Nc3ccc(Br)c(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)C)c1
InChIInChI=1S/C22H24BrN3O4S.C22H22F3N3O5.C21H22BrN3O5.2C20H18F3N3O5.C20H18F3N3O4S.6CH4/c1-10(2)16(14-8-11(3)9-31-14)25-18-17(20(28)21(18)29)24-13-7-6-12(23)15(19(13)27)22(30)26(4)5;1-10(2)11-8-14(33-9-11)20(22(23,24)25)27-16-15(18(30)19(16)31)26-13-7-5-6-12(17(13)29)21(32)28(3)4;1-5-12(14-9-6-10(2)30-14)23-16-17(20(28)19(16)27)24-13-8-7-11(22)15(18(13)26)21(29)25(3)4;3*1-9-7-8-12(31-9)18(20(21,22)23)25-14-13(16(28)17(14)29)24-11-6-4-5-10(15(11)27)19(30)26(2)3;;;;;;/h6-10,16,24-25,27H,1-5H3;5-10,20,26-27,29H,1-4H3;6-9,12,23-24,26H,5H2,1-4H3;3*4-8,18,24-25,27H,1-3H3;6*1H4/t16-;20-;12-;18-;;;;;;;;/m1010......../s1
InChIKeyAJGRAJVRAAFVQW-NFQPRPJSSA-N
MW2872.62 g/mol
LogP25.34
Rot. Bonds39

About 6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-2-methyl-1-(4-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(4-propan-2-ylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;methane

6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-2-methyl-1-(4-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(4-propan-2-ylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;methane (PubChem CID 157132782) has the molecular formula C131H146Br2F12N18O28S2 and a molecular weight of 2872.62 g/mol. Its IUPAC name is 6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-2-methyl-1-(4-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(4-propan-2-ylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;methane.

Molecular Properties

Compound Name6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-2-methyl-1-(4-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(4-propan-2-ylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;methane
PubChem CID157132782
Molecular FormulaC131H146Br2F12N18O28S2
Molecular Weight2872.62 g/mol
Exact Mass2868.82
IUPAC Name6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-2-methyl-1-(4-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(4-propan-2-ylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;methane
SMILESC.C.C.C.C.C.CC(C)c1coc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(F)(F)F)c1.CC[C@@H](Nc1c(Nc2ccc(Br)c(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1.Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(F)(F)F)o1.Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(F)(F)F)s1.Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(F)(F)F)o1.Cc1csc([C@H](Nc2c(Nc3ccc(Br)c(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)C)c1
InChIInChI=1S/C22H24BrN3O4S.C22H22F3N3O5.C21H22BrN3O5.2C20H18F3N3O5.C20H18F3N3O4S.6CH4/c1-10(2)16(14-8-11(3)9-31-14)25-18-17(20(28)21(18)29)24-13-7-6-12(23)15(19(13)27)22(30)26(4)5;1-10(2)11-8-14(33-9-11)20(22(23,24)25)27-16-15(18(30)19(16)31)26-13-7-5-6-12(17(13)29)21(32)28(3)4;1-5-12(14-9-6-10(2)30-14)23-16-17(20(28)19(16)27)24-13-8-7-11(22)15(18(13)26)21(29)25(3)4;3*1-9-7-8-12(31-9)18(20(21,22)23)25-14-13(16(28)17(14)29)24-11-6-4-5-10(15(11)27)19(30)26(2)3;;;;;;/h6-10,16,24-25,27H,1-5H3;5-10,20,26-27,29H,1-4H3;6-9,12,23-24,26H,5H2,1-4H3;3*4-8,18,24-25,27H,1-3H3;6*1H4/t16-;20-;12-;18-;;;;;;;;/m1010......../s1
InChIKeyAJGRAJVRAAFVQW-NFQPRPJSSA-N
XLogP25.34
TPSA645.00 Ų
H-Bond Donors18
H-Bond Acceptors42
Rotatable Bonds39
Heavy Atoms193
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002872.62
LogP ≤ 525.34
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-2-methyl-1-(4-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(4-propan-2-ylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-2-methyl-1-(4-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(4-propan-2-ylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;methane?
The IUPAC name of 6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-2-methyl-1-(4-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(4-propan-2-ylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;methane (CID 157132782) is 6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-2-methyl-1-(4-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(4-propan-2-ylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;methane.
What is the SMILES notation for 6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-2-methyl-1-(4-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(4-propan-2-ylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;methane?
The canonical SMILES for 6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-2-methyl-1-(4-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(4-propan-2-ylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;methane is C.C.C.C.C.C.CC(C)c1coc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(F)(F)F)c1.CC[C@@H](Nc1c(Nc2ccc(Br)c(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1.Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(F)(F)F)o1.Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(F)(F)F)s1.Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(F)(F)F)o1.Cc1csc([C@H](Nc2c(Nc3ccc(Br)c(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)C)c1.
What is the InChIKey of 6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-2-methyl-1-(4-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(4-propan-2-ylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;methane?
The InChIKey is AJGRAJVRAAFVQW-NFQPRPJSSA-N. The full InChI is InChI=1S/C22H24BrN3O4S.C22H22F3N3O5.C21H22BrN3O5.2C20H18F3N3O5.C20H18F3N3O4S.6CH4/c1-10(2)16(14-8-11(3)9-31-14)25-18-17(20(28)21(18)29)24-13-7-6-12(23)15(19(13)27)22(30)26(4)5;1-10(2)11-8-14(33-9-11)20(22(23,24)25)27-16-15(18(30)19(16)31)26-13-7-5-6-12(17(13)29)21(32)28(3)4;1-5-12(14-9-6-10(2)30-14)23-16-17(20(28)19(16)27)24-13-8-7-11(22)15(18(13)26)21(29)25(3)4;3*1-9-7-8-12(31-9)18(20(21,22)23)25-14-13(16(28)17(14)29)24-11-6-4-5-10(15(11)27)19(30)26(2)3;;;;;;/h6-10,16,24-25,27H,1-5H3;5-10,20,26-27,29H,1-4H3;6-9,12,23-24,26H,5H2,1-4H3;3*4-8,18,24-25,27H,1-3H3;6*1H4/t16-;20-;12-;18-;;;;;;;;/m1010......../s1.
What are the key properties of 6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-2-methyl-1-(4-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(4-propan-2-ylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;methane?
6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-2-methyl-1-(4-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(4-propan-2-ylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;methane has a molecular weight of 2872.62 g/mol, XLogP of 25.34, 39 rotatable bonds, 18 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-2-methyl-1-(4-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(4-propan-2-ylfuran-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;methane is sourced from PubChem (CID 157132782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).