About N-[5-[2-tert-butyl-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-tert-butyl-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3S)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3R)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfonimidoyl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
N-[5-[2-tert-butyl-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-tert-butyl-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3S)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3R)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfonimidoyl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 165070667) has the molecular formula C122H147F2N19O18P2S10
and a molecular weight of 2588.25 g/mol. Its IUPAC name is N-[5-[2-tert-butyl-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-tert-butyl-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3S)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3R)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfonimidoyl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
Frequently Asked Questions
What is the IUPAC name of N-[5-[2-tert-butyl-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-tert-butyl-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3S)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3R)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfonimidoyl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-tert-butyl-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-tert-butyl-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3S)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3R)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfonimidoyl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 165070667) is N-[5-[2-tert-butyl-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-tert-butyl-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3S)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3R)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfonimidoyl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-tert-butyl-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-tert-butyl-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3S)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3R)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfonimidoyl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-tert-butyl-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-tert-butyl-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3S)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3R)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfonimidoyl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(F)F)c(-c2cc3c(c([S@@](C)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(P(C)(C)=O)c2)C(=O)N([C@@H](C)C2CC2)[C@@H]3C)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c(P(C)(C)=O)c2)C(=O)N([C@@H](C)C2CC2)[C@H]3C)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c([S@@](C)=O)c2)C(=O)N(C(C)(C)C)C3)s1.CC(=O)Nc1nc(C)c(-c2cc3c(c([S@](C)=O)c2)C(=O)N(C(C)(C)C)C3)s1.[H]N=[S@@](C)(=O)c1cc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.
What is the InChIKey of N-[5-[2-tert-butyl-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-tert-butyl-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3S)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3R)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfonimidoyl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is SRUNHVFWABZASV-XKZWRSOASA-N. The full InChI is InChI=1S/2C22H28N3O3PS.C20H21F2N3O3S2.C20H24N4O3S2.2C19H23N3O3S2/c2*1-11-20(30-22(23-11)24-14(4)26)16-9-17-13(3)25(12(2)15-7-8-15)21(27)19(17)18(10-16)29(5,6)28;1-9(11-4-5-11)25-8-13-6-12(7-14(30(3)28)15(13)19(25)27)17-16(18(21)22)24-20(29-17)23-10(2)26;1-10-18(28-20(22-10)23-12(3)25)14-7-15-9-24(11(2)13-5-6-13)19(26)17(15)16(8-14)29(4,21)27;2*1-10-16(26-18(20-10)21-11(2)23)12-7-13-9-22(19(3,4)5)17(24)15(13)14(8-12)27(6)25/h2*9-10,12-13,15H,7-8H2,1-6H3,(H,23,24,26);6-7,9,11,18H,4-5,8H2,1-3H3,(H,23,24,26);7-8,11,13,21H,5-6,9H2,1-4H3,(H,22,23,25);2*7-8H,9H2,1-6H3,(H,20,21,23)/t12-,13+;12-,13-;9-,30+;11-,29-;2*27-/m000010/s1.
What are the key properties of N-[5-[2-tert-butyl-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-tert-butyl-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3S)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3R)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfonimidoyl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[2-tert-butyl-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-tert-butyl-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3S)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3R)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfonimidoyl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 2588.25 g/mol, XLogP of 24.48, 27 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-tert-butyl-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-tert-butyl-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3S)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3R)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfonimidoyl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 165070667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).