About 2-deuterio-N-(deuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-deuterio-N-(dideuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-(trideuteriomethyl)benzamide;4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide
2-deuterio-N-(deuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-deuterio-N-(dideuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-(trideuteriomethyl)benzamide;4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide (PubChem CID 159425602) has the molecular formula C154H135F5N28O14S7
and a molecular weight of 2942.54 g/mol. Its IUPAC name is 2-deuterio-N-(deuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-deuterio-N-(dideuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-(trideuteriomethyl)benzamide;4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide.
Frequently Asked Questions
What is the IUPAC name of 2-deuterio-N-(deuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-deuterio-N-(dideuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-(trideuteriomethyl)benzamide;4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide?
The IUPAC name of 2-deuterio-N-(deuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-deuterio-N-(dideuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-(trideuteriomethyl)benzamide;4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide (CID 159425602) is 2-deuterio-N-(deuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-deuterio-N-(dideuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-(trideuteriomethyl)benzamide;4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide.
What is the SMILES notation for 2-deuterio-N-(deuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-deuterio-N-(dideuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-(trideuteriomethyl)benzamide;4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide?
The canonical SMILES for 2-deuterio-N-(deuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-deuterio-N-(dideuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-(trideuteriomethyl)benzamide;4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide is [2H]C([2H])([2H])NC(=O)c1ccc(N2C(=S)N(c3ccc([N+]#[C-])c(C)c3)C(=O)C23CCC3)cc1F.[2H]CNC(=O)c1ccc(N2C(=S)N(c3ccc([N+]#[C-])c(C)c3)C(=O)C23CCC3)cc1[2H].[2H]c1cc(N2C(=S)N(c3ccc([N+]#[C-])c(C)c3)C(=O)C23CCC3)ccc1C(=O)NC([2H])[2H].[2H]c1cc([N+]#[C-])c(C)c([2H])c1N1C(=O)C2(CCC2)N(c2c([2H])cc(C(=O)NC([2H])([2H])[2H])c(F)c2[2H])C1=S.[2H]c1cc([N+]#[C-])c(C)c([2H])c1N1C(=O)C2(CCC2)N(c2c([2H])cc(C(=O)NC)c(F)c2[2H])C1=S.[2H]c1cc([N+]#[C-])c(C)c([2H])c1N1C(=O)C2(CCC2)N(c2ccc(C(=O)NC)c(F)c2)C1=S.[C-]#[N+]c1ccc(N2C(=O)C3(CCC3)N(c3ccc(C(=O)NC)c(F)c3)C2=S)cc1C.
What is the InChIKey of 2-deuterio-N-(deuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-deuterio-N-(dideuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-(trideuteriomethyl)benzamide;4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide?
The InChIKey is LQHRNIJCEIPAFL-CJIHBIMWSA-N. The full InChI is InChI=1S/5C22H19FN4O2S.2C22H20N4O2S/c5*1-13-11-14(6-8-18(13)24-2)26-20(29)22(9-4-10-22)27(21(26)30)15-5-7-16(17(23)12-15)19(28)25-3;2*1-14-13-17(9-10-18(14)23-2)25-20(28)22(11-4-12-22)26(21(25)29)16-7-5-15(6-8-16)19(27)24-3/h5*5-8,11-12H,4,9-10H2,1,3H3,(H,25,28);2*5-10,13H,4,11-12H2,1,3H3,(H,24,27)/i3D3,5D,6D,11D,12D;5D,6D,11D,12D;6D,11D;3D3;;3D2,5D;3D,5D.
What are the key properties of 2-deuterio-N-(deuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-deuterio-N-(dideuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-(trideuteriomethyl)benzamide;4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide?
2-deuterio-N-(deuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-deuterio-N-(dideuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-(trideuteriomethyl)benzamide;4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide has a molecular weight of 2942.54 g/mol, XLogP of 28.46, 25 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-N-(deuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-deuterio-N-(dideuteriomethyl)-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;3,5-dideuterio-4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-(trideuteriomethyl)benzamide;4-[7-(2,6-dideuterio-4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-methylbenzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide is sourced from PubChem (CID 159425602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).