6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;bis(3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide);3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide

C126H157Br2F9N30O27S3+6 — CID 159853582

IUPAC6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;bis(3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide);3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
SMILESCC[C@@H](Nc1c(Nc2ccc(Br)c(C(=O)N(C)C)c2O)[nH]o[n+]1=O)c1ccc(C)o1.CN(C)C(=O)c1cccc(Nc2[nH]o[n+](=O)c2N[C@@H](c2ccco2)C(C)(C)C)c1O.Cc1ccc([C@H](Nc2c(Nc3ccc(Br)c(C(=O)N(C)C)c3O)[nH]o[n+]2=O)C(C)(C)C)s1.Cc1ccc([C@H](Nc2c(Nc3ccc(C(F)(F)F)c(C(=O)N(C)C)c3O)[nH]o[n+]2=O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2c(Nc3ccc(C(F)(F)F)c(C(=O)N(C)C)c3O)[nH]o[n+]2=O)C(C)(C)C)s1.Cc1ccc([C@H](Nc2c(Nc3ccc(C(F)(F)F)c(C(=O)N(C)C)c3O)[nH]o[n+]2=O)C(C)(C)C)s1
InChIInChI=1S/C22H26F3N5O5.2C22H26F3N5O4S.C21H26BrN5O4S.C20H25N5O5.C19H22BrN5O5/c1-11-7-10-14(34-11)17(21(2,3)4)27-19-18(28-35-30(19)33)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)29(5)6;2*1-11-7-10-14(35-11)17(21(2,3)4)27-19-18(28-34-30(19)33)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)29(5)6;1-11-7-10-14(32-11)17(21(2,3)4)24-19-18(25-31-27(19)30)23-13-9-8-12(22)15(16(13)28)20(29)26(5)6;1-20(2,3)16(14-10-7-11-29-14)22-18-17(23-30-25(18)28)21-13-9-6-8-12(15(13)26)19(27)24(4)5;1-5-12(14-9-6-10(2)29-14)22-18-17(23-30-25(18)28)21-13-8-7-11(20)15(16(13)26)19(27)24(3)4/h3*7-10,17H,1-6H3,(H3-,26,27,28,31,32,33);7-10,17H,1-6H3,(H3-,23,24,25,28,29,30);6-11,16H,1-5H3,(H3-,21,22,23,26,27,28);6-9,12H,5H2,1-4H3,(H3-,21,22,23,26,27,28)/p+6/t4*17-;16-;12-/m000001/s1
InChIKeyZJLRVZSFDQLQAS-YLPBFDGJSA-T
MW2950.82 g/mol
LogP27.69
Rot. Bonds37

About 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;bis(3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide);3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide

6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;bis(3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide);3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide (PubChem CID 159853582) has the molecular formula C126H157Br2F9N30O27S3+6 and a molecular weight of 2950.82 g/mol. Its IUPAC name is 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;bis(3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide);3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;bis(3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide);3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
PubChem CID159853582
Molecular FormulaC126H157Br2F9N30O27S3+6
Molecular Weight2950.82 g/mol
Exact Mass2946.92
IUPAC Name6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;bis(3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide);3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
SMILESCC[C@@H](Nc1c(Nc2ccc(Br)c(C(=O)N(C)C)c2O)[nH]o[n+]1=O)c1ccc(C)o1.CN(C)C(=O)c1cccc(Nc2[nH]o[n+](=O)c2N[C@@H](c2ccco2)C(C)(C)C)c1O.Cc1ccc([C@H](Nc2c(Nc3ccc(Br)c(C(=O)N(C)C)c3O)[nH]o[n+]2=O)C(C)(C)C)s1.Cc1ccc([C@H](Nc2c(Nc3ccc(C(F)(F)F)c(C(=O)N(C)C)c3O)[nH]o[n+]2=O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2c(Nc3ccc(C(F)(F)F)c(C(=O)N(C)C)c3O)[nH]o[n+]2=O)C(C)(C)C)s1.Cc1ccc([C@H](Nc2c(Nc3ccc(C(F)(F)F)c(C(=O)N(C)C)c3O)[nH]o[n+]2=O)C(C)(C)C)s1
InChIInChI=1S/C22H26F3N5O5.2C22H26F3N5O4S.C21H26BrN5O4S.C20H25N5O5.C19H22BrN5O5/c1-11-7-10-14(34-11)17(21(2,3)4)27-19-18(28-35-30(19)33)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)29(5)6;2*1-11-7-10-14(35-11)17(21(2,3)4)27-19-18(28-34-30(19)33)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)29(5)6;1-11-7-10-14(32-11)17(21(2,3)4)24-19-18(25-31-27(19)30)23-13-9-8-12(22)15(16(13)28)20(29)26(5)6;1-20(2,3)16(14-10-7-11-29-14)22-18-17(23-30-25(18)28)21-13-9-6-8-12(15(13)26)19(27)24(4)5;1-5-12(14-9-6-10(2)29-14)22-18-17(23-30-25(18)28)21-13-8-7-11(20)15(16(13)26)19(27)24(3)4/h3*7-10,17H,1-6H3,(H3-,26,27,28,31,32,33);7-10,17H,1-6H3,(H3-,23,24,25,28,29,30);6-11,16H,1-5H3,(H3-,21,22,23,26,27,28);6-9,12H,5H2,1-4H3,(H3-,21,22,23,26,27,28)/p+6/t4*17-;16-;12-/m000001/s1
InChIKeyZJLRVZSFDQLQAS-YLPBFDGJSA-T
XLogP27.69
TPSA738.42 Ų
H-Bond Donors24
H-Bond Acceptors42
Rotatable Bonds37
Heavy Atoms197
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002950.82
LogP ≤ 527.69
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;bis(3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide);3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;bis(3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide);3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
The IUPAC name of 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;bis(3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide);3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide (CID 159853582) is 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;bis(3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide);3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide.
What is the SMILES notation for 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;bis(3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide);3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
The canonical SMILES for 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;bis(3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide);3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide is CC[C@@H](Nc1c(Nc2ccc(Br)c(C(=O)N(C)C)c2O)[nH]o[n+]1=O)c1ccc(C)o1.CN(C)C(=O)c1cccc(Nc2[nH]o[n+](=O)c2N[C@@H](c2ccco2)C(C)(C)C)c1O.Cc1ccc([C@H](Nc2c(Nc3ccc(Br)c(C(=O)N(C)C)c3O)[nH]o[n+]2=O)C(C)(C)C)s1.Cc1ccc([C@H](Nc2c(Nc3ccc(C(F)(F)F)c(C(=O)N(C)C)c3O)[nH]o[n+]2=O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2c(Nc3ccc(C(F)(F)F)c(C(=O)N(C)C)c3O)[nH]o[n+]2=O)C(C)(C)C)s1.Cc1ccc([C@H](Nc2c(Nc3ccc(C(F)(F)F)c(C(=O)N(C)C)c3O)[nH]o[n+]2=O)C(C)(C)C)s1.
What is the InChIKey of 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;bis(3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide);3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
The InChIKey is ZJLRVZSFDQLQAS-YLPBFDGJSA-T. The full InChI is InChI=1S/C22H26F3N5O5.2C22H26F3N5O4S.C21H26BrN5O4S.C20H25N5O5.C19H22BrN5O5/c1-11-7-10-14(34-11)17(21(2,3)4)27-19-18(28-35-30(19)33)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)29(5)6;2*1-11-7-10-14(35-11)17(21(2,3)4)27-19-18(28-34-30(19)33)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)29(5)6;1-11-7-10-14(32-11)17(21(2,3)4)24-19-18(25-31-27(19)30)23-13-9-8-12(22)15(16(13)28)20(29)26(5)6;1-20(2,3)16(14-10-7-11-29-14)22-18-17(23-30-25(18)28)21-13-9-6-8-12(15(13)26)19(27)24(4)5;1-5-12(14-9-6-10(2)29-14)22-18-17(23-30-25(18)28)21-13-8-7-11(20)15(16(13)26)19(27)24(3)4/h3*7-10,17H,1-6H3,(H3-,26,27,28,31,32,33);7-10,17H,1-6H3,(H3-,23,24,25,28,29,30);6-11,16H,1-5H3,(H3-,21,22,23,26,27,28);6-9,12H,5H2,1-4H3,(H3-,21,22,23,26,27,28)/p+6/t4*17-;16-;12-/m000001/s1.
What are the key properties of 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;bis(3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide);3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;bis(3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide);3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide has a molecular weight of 2950.82 g/mol, XLogP of 27.69, 37 rotatable bonds, 24 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;bis(3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide);3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide is sourced from PubChem (CID 159853582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).