About 3-[[4-[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;(3R)-1-[2-hydroxy-3-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]benzoyl]piperidine-3-carboxylic acid
3-[[4-[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;(3R)-1-[2-hydroxy-3-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]benzoyl]piperidine-3-carboxylic acid (PubChem CID 159520237) has the molecular formula C131H159Br2F3N30O29S6
and a molecular weight of 3027.10 g/mol. Its IUPAC name is 3-[[4-[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;(3R)-1-[2-hydroxy-3-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]benzoyl]piperidine-3-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of 3-[[4-[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;(3R)-1-[2-hydroxy-3-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-[[4-[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;(3R)-1-[2-hydroxy-3-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]benzoyl]piperidine-3-carboxylic acid (CID 159520237) is 3-[[4-[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;(3R)-1-[2-hydroxy-3-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-[[4-[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;(3R)-1-[2-hydroxy-3-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-[[4-[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;(3R)-1-[2-hydroxy-3-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]benzoyl]piperidine-3-carboxylic acid is CC[C@@H](/N=C1\NS(=O)(=O)N=C1Nc1cccc(C(=O)N2CCC[C@@H](C(=O)O)C2)c1O)c1ccc(C)o1.CC[C@@H](NC1=NS(=O)N=C1Nc1ccc(Br)c(C(=O)N(C)C)c1O)c1cc(C(C)C)co1.CC[C@@H](NC1=NS(=O)N=C1Nc1ccc(C(F)(F)F)c(C(=O)N(C)C)c1O)c1cc(C(C)C)co1.CC[C@@H](NC1=NS(=O)N=C1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C(C)C)co1.CN(C)C(=O)c1c(Br)ccc(NC2=NS(=O)(=O)N/C2=N\[C@@H](c2ccc3c(c2)OCO3)C(C)(C)C)c1O.Cc1cc([C@H](NC2=NS(=O)N=C2Nc2cccc(C(=O)N(C)C)c2O)C(C)C)oc1C.
What is the InChIKey of 3-[[4-[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;(3R)-1-[2-hydroxy-3-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]benzoyl]piperidine-3-carboxylic acid?
The InChIKey is MBSHEKASLNLRIK-CRMGSJPZSA-N. The full InChI is InChI=1S/C23H26BrN5O6S.C23H27N5O7S.C22H26F3N5O4S.C21H26BrN5O4S.2C21H27N5O4S/c1-23(2,3)19(12-6-9-15-16(10-12)35-11-34-15)26-21-20(27-36(32,33)28-21)25-14-8-7-13(24)17(18(14)30)22(31)29(4)5;1-3-16(18-10-9-13(2)35-18)24-20-21(27-36(33,34)26-20)25-17-8-4-7-15(19(17)29)22(30)28-11-5-6-14(12-28)23(31)32;1-6-14(16-9-12(10-34-16)11(2)3)26-19-20(29-35(33)28-19)27-15-8-7-13(22(23,24)25)17(18(15)31)21(32)30(4)5;1-6-14(16-9-12(10-31-16)11(2)3)23-19-20(26-32(30)25-19)24-15-8-7-13(22)17(18(15)28)21(29)27(4)5;1-11(2)17(16-10-12(3)13(4)30-16)23-20-19(24-31(29)25-20)22-15-9-7-8-14(18(15)27)21(28)26(5)6;1-6-15(17-10-13(11-30-17)12(2)3)22-19-20(25-31(29)24-19)23-16-9-7-8-14(18(16)27)21(28)26(4)5/h6-10,19,30H,11H2,1-5H3,(H,25,27)(H,26,28);4,7-10,14,16,29H,3,5-6,11-12H2,1-2H3,(H,24,26)(H,25,27)(H,31,32);7-11,14,31H,6H2,1-5H3,(H,26,28)(H,27,29);7-11,14,28H,6H2,1-5H3,(H,23,25)(H,24,26);7-11,17,27H,1-6H3,(H,22,24)(H,23,25);7-12,15,27H,6H2,1-5H3,(H,22,24)(H,23,25)/t19-;14-,16-;14-,35?;14-,32?;17-,31?;15-,31?/m011111/s1.
What are the key properties of 3-[[4-[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;(3R)-1-[2-hydroxy-3-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]benzoyl]piperidine-3-carboxylic acid?
3-[[4-[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;(3R)-1-[2-hydroxy-3-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]benzoyl]piperidine-3-carboxylic acid has a molecular weight of 3027.10 g/mol, XLogP of 20.80, 33 rotatable bonds, 19 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-6-bromo-2-hydroxy-N,N-dimethylbenzamide;6-bromo-2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;(3R)-1-[2-hydroxy-3-[[4-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 159520237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).