2-deuterio-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide;N-(deuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(deuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide

C151H134F6N28O14S7 — CID 161343907

IUPAC2-deuterio-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide;N-(deuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(deuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide
SMILES[2H]C([2H])([2H])NC(=O)c1ccc(N2C(=S)N(c3ccc([N+]#[C-])c(C)c3)C(=O)C2(C)C)cc1F.[2H]C([2H])([2H])NC(=O)c1ccc(N2C(=S)N(c3ccc([N+]#[C-])c(C)c3)C(=O)C23CCC3)cc1F.[2H]C([2H])NC(=O)c1ccc(N2C(=S)N(c3ccc([N+]#[C-])c(C)c3)C(=O)C2(C)C)cc1F.[2H]C([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)C2(C)C)cc1F.[2H]CNC(=O)c1ccc(N2C(=S)N(c3ccc([N+]#[C-])c(C)c3)C(=O)C23CCC3)cc1F.[2H]c1cc(N2C(=S)N(c3ccc([N+]#[C-])c(C)c3)C(=O)C23CCC3)ccc1C(=O)NC([2H])([2H])[2H]
InChIInChI=1S/3C22H19FN4O2S.C22H20N4O2S.3C21H19FN4O2S/c3*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;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;3*1-12-10-13(7-9-17(12)23-4)25-19(28)21(2,3)26(20(25)29)14-6-8-15(16(22)11-14)18(27)24-5/h3*5-8,11-12H,4,9-10H2,1,3H3,(H,25,28);5-10,13H,4,11-12H2,1,3H3,(H,24,27);3*6-11H,1-3,5H3,(H,24,27)/i3D3;3D2;3D;3D3,5D;5D3;5D2;5D
InChIKeyVNAVHWBZTRBVSF-WLILFAADSA-N
MW2919.47 g/mol
LogP28.17
Rot. Bonds28

About 2-deuterio-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide;N-(deuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(deuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;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-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide;N-(deuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(deuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;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 161343907) has the molecular formula C151H134F6N28O14S7 and a molecular weight of 2919.47 g/mol. Its IUPAC name is 2-deuterio-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide;N-(deuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(deuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide.

Molecular Properties

Compound Name2-deuterio-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide;N-(deuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(deuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide
PubChem CID161343907
Molecular FormulaC151H134F6N28O14S7
Molecular Weight2919.47 g/mol
Exact Mass2916.96
IUPAC Name2-deuterio-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide;N-(deuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(deuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide
SMILES[2H]C([2H])([2H])NC(=O)c1ccc(N2C(=S)N(c3ccc([N+]#[C-])c(C)c3)C(=O)C2(C)C)cc1F.[2H]C([2H])([2H])NC(=O)c1ccc(N2C(=S)N(c3ccc([N+]#[C-])c(C)c3)C(=O)C23CCC3)cc1F.[2H]C([2H])NC(=O)c1ccc(N2C(=S)N(c3ccc([N+]#[C-])c(C)c3)C(=O)C2(C)C)cc1F.[2H]C([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)C2(C)C)cc1F.[2H]CNC(=O)c1ccc(N2C(=S)N(c3ccc([N+]#[C-])c(C)c3)C(=O)C23CCC3)cc1F.[2H]c1cc(N2C(=S)N(c3ccc([N+]#[C-])c(C)c3)C(=O)C23CCC3)ccc1C(=O)NC([2H])([2H])[2H]
InChIInChI=1S/3C22H19FN4O2S.C22H20N4O2S.3C21H19FN4O2S/c3*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;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;3*1-12-10-13(7-9-17(12)23-4)25-19(28)21(2,3)26(20(25)29)14-6-8-15(16(22)11-14)18(27)24-5/h3*5-8,11-12H,4,9-10H2,1,3H3,(H,25,28);5-10,13H,4,11-12H2,1,3H3,(H,24,27);3*6-11H,1-3,5H3,(H,24,27)/i3D3;3D2;3D;3D3,5D;5D3;5D2;5D
InChIKeyVNAVHWBZTRBVSF-WLILFAADSA-N
XLogP28.17
TPSA399.07 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002919.47
LogP ≤ 528.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze 2-deuterio-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide;N-(deuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(deuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide with MolForge

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Related Compounds

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
2-deuterio-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;N-(deuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;3,5-dideuterio-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-methylbenzamide;3,5-dideuterio-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;4-[3-(2,6-dideuterio-4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-(trideuteriomethyl)benzamide;N-(dideuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide
CID 161447154
2-deuterio-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-methylbenzamide;2-deuterio-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;2-deuterio-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-methylbenzamide;2-deuterio-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide
CID 157069307
3,5-dideuterio-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-methylbenzamide
CID 158812291
2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-7,7,9,9-tetramethyl-4-oxo-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl]-N-methylbenzamide
CID 158329778
N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenyl]methyl]-3H-pyrrole-5-carboxamide
CID 158996798
N-[[2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 159823314
2-fluoro-4-[7-(6-isocyano-5-methyl-3-pyridinyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-methylbenzamide;7-(6-isocyano-5-methyl-3-pyridinyl)-5-(4-methylphenyl)-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one
CID 162070205
2-fluoro-4-[7-(6-isocyano-5-methyl-3-pyridinyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-propan-2-ylbenzamide
CID 147302326
2-fluoro-4-[3-[4-isocyano-3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-methylbenzamide
CID 159752792
N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide
CID 158526452
2-fluoro-4-[2-(6-isocyano-5-methyl-3-pyridinyl)-1-oxo-3-sulfanylidene-2,4-diazadispiro[4.1.57.35]pentadecan-4-yl]-N-methylbenzamide
CID 146974667

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide;N-(deuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(deuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;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-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide;N-(deuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(deuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide (CID 161343907) is 2-deuterio-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide;N-(deuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(deuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;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-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide;N-(deuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(deuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;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-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide;N-(deuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(deuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;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)C2(C)C)cc1F.[2H]C([2H])([2H])NC(=O)c1ccc(N2C(=S)N(c3ccc([N+]#[C-])c(C)c3)C(=O)C23CCC3)cc1F.[2H]C([2H])NC(=O)c1ccc(N2C(=S)N(c3ccc([N+]#[C-])c(C)c3)C(=O)C2(C)C)cc1F.[2H]C([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)C2(C)C)cc1F.[2H]CNC(=O)c1ccc(N2C(=S)N(c3ccc([N+]#[C-])c(C)c3)C(=O)C23CCC3)cc1F.[2H]c1cc(N2C(=S)N(c3ccc([N+]#[C-])c(C)c3)C(=O)C23CCC3)ccc1C(=O)NC([2H])([2H])[2H].
What is the InChIKey of 2-deuterio-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide;N-(deuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(deuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;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 VNAVHWBZTRBVSF-WLILFAADSA-N. The full InChI is InChI=1S/3C22H19FN4O2S.C22H20N4O2S.3C21H19FN4O2S/c3*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;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;3*1-12-10-13(7-9-17(12)23-4)25-19(28)21(2,3)26(20(25)29)14-6-8-15(16(22)11-14)18(27)24-5/h3*5-8,11-12H,4,9-10H2,1,3H3,(H,25,28);5-10,13H,4,11-12H2,1,3H3,(H,24,27);3*6-11H,1-3,5H3,(H,24,27)/i3D3;3D2;3D;3D3,5D;5D3;5D2;5D.
What are the key properties of 2-deuterio-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide;N-(deuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(deuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;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-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide;N-(deuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(deuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;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 2919.47 g/mol, XLogP of 28.17, 28 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-N-(trideuteriomethyl)benzamide;N-(deuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(deuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide;N-(dideuteriomethyl)-2-fluoro-4-[7-(4-isocyano-3-methylphenyl)-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]benzamide;2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(trideuteriomethyl)benzamide;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 161343907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).