1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(3-morpholin-4-ylphenyl)ethanone;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]benzonitrile;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione

C136H176F7N7O24S6 — CID 159838230

About 1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(3-morpholin-4-ylphenyl)ethanone;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]benzonitrile;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione

1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(3-morpholin-4-ylphenyl)ethanone;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]benzonitrile;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione (PubChem CID 159838230) has the molecular formula C136H176F7N7O24S6 and a molecular weight of 2618.32 g/mol. Its IUPAC name is 1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(3-morpholin-4-ylphenyl)ethanone;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]benzonitrile;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(3-morpholin-4-ylphenyl)ethanone;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]benzonitrile;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
• PubChem CID: 159838230
• Molecular Formula: C136H176F7N7O24S6
• Molecular Weight: 2618.32 g/mol
• Exact Mass: 2616.10
• IUPAC Name: 1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(3-morpholin-4-ylphenyl)ethanone;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]benzonitrile;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
• SMILES: CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(C#N)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2cccc(N3CCOCC3)c2)cc1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(F)c(OC(F)(F)F)c2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc3c(c2)C(=O)N(c2ccc(C(F)(F)F)cc2)C3=O)CC1.CC1CC(Oc2ccc(CC(=O)N3CCC(CS(=O)(=O)C(C)C)CC3)cc2)CC(C)O1.CC1CCCC(c2ccc(CC(=O)N3CCC(CS(=O)(=O)C(C)C)CC3)cc2)C1C
• InChI: InChI=1S/C26H27F3N2O5S.C25H39NO3S.C24H37NO5S.C23H29NO4S.C20H21NO3S.C18H23F4NO4S/c1-16(2)37(35,36)15-17-9-11-30(12-10-17)23(32)14-18-3-8-21-22(13-18)25(34)31(24(21)33)20-6-4-19(5-7-20)26(27,28)29;1-18(2)30(28,29)17-22-12-14-26(15-13-22)25(27)16-21-8-10-23(11-9-21)24-7-5-6-19(3)20(24)4;1-17(2)31(27,28)16-21-9-11-25(12-10-21)24(26)15-20-5-7-22(8-6-20)30-23-13-18(3)29-19(4)14-23;1-23(2,3)29(26,27)17-18-7-9-20(10-8-18)22(25)16-19-5-4-6-21(15-19)24-11-13-28-14-12-24;1-20(2,3)25(23,24)14-17-8-10-18(11-9-17)19(22)12-15-4-6-16(13-21)7-5-15;1-12(2)28(25,26)11-13-5-7-23(8-6-13)17(24)10-14-3-4-15(19)16(9-14)27-18(20,21)22/h3-8,13,16-17H,9-12,14-15H2,1-2H3;8-11,18-20,22,24H,5-7,12-17H2,1-4H3;5-8,17-19,21,23H,9-16H2,1-4H3;4-10,15H,11-14,16-17H2,1-3H3;4-11H,12,14H2,1-3H3;3-4,9,12-13H,5-8,10-11H2,1-2H3
• InChIKey: NOIUPRMJLPONOT-UHFFFAOYSA-N
• XLogP: 23.25
• TPSA: 421.55 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 36
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2618.32
LogP ≤ 5	23.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(3-morpholin-4-ylphenyl)ethanone;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]benzonitrile;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione?

The IUPAC name of 1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(3-morpholin-4-ylphenyl)ethanone;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]benzonitrile;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione (CID 159838230) is 1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(3-morpholin-4-ylphenyl)ethanone;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]benzonitrile;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione.

What is the SMILES notation for 1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(3-morpholin-4-ylphenyl)ethanone;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]benzonitrile;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione?

The canonical SMILES for 1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(3-morpholin-4-ylphenyl)ethanone;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]benzonitrile;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione is CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(C#N)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2cccc(N3CCOCC3)c2)cc1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(F)c(OC(F)(F)F)c2)CC1.CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc3c(c2)C(=O)N(c2ccc(C(F)(F)F)cc2)C3=O)CC1.CC1CC(Oc2ccc(CC(=O)N3CCC(CS(=O)(=O)C(C)C)CC3)cc2)CC(C)O1.CC1CCCC(c2ccc(CC(=O)N3CCC(CS(=O)(=O)C(C)C)CC3)cc2)C1C.

What is the InChIKey of 1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(3-morpholin-4-ylphenyl)ethanone;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]benzonitrile;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione?

The InChIKey is NOIUPRMJLPONOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O5S.C25H39NO3S.C24H37NO5S.C23H29NO4S.C20H21NO3S.C18H23F4NO4S/c1-16(2)37(35,36)15-17-9-11-30(12-10-17)23(32)14-18-3-8-21-22(13-18)25(34)31(24(21)33)20-6-4-19(5-7-20)26(27,28)29;1-18(2)30(28,29)17-22-12-14-26(15-13-22)25(27)16-21-8-10-23(11-9-21)24-7-5-6-19(3)20(24)4;1-17(2)31(27,28)16-21-9-11-25(12-10-21)24(26)15-20-5-7-22(8-6-20)30-23-13-18(3)29-19(4)14-23;1-23(2,3)29(26,27)17-18-7-9-20(10-8-18)22(25)16-19-5-4-6-21(15-19)24-11-13-28-14-12-24;1-20(2,3)25(23,24)14-17-8-10-18(11-9-17)19(22)12-15-4-6-16(13-21)7-5-15;1-12(2)28(25,26)11-13-5-7-23(8-6-13)17(24)10-14-3-4-15(19)16(9-14)27-18(20,21)22/h3-8,13,16-17H,9-12,14-15H2,1-2H3;8-11,18-20,22,24H,5-7,12-17H2,1-4H3;5-8,17-19,21,23H,9-16H2,1-4H3;4-10,15H,11-14,16-17H2,1-3H3;4-11H,12,14H2,1-3H3;3-4,9,12-13H,5-8,10-11H2,1-2H3.

What are the key properties of 1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(3-morpholin-4-ylphenyl)ethanone;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]benzonitrile;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione?

1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(3-morpholin-4-ylphenyl)ethanone;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]benzonitrile;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione has a molecular weight of 2618.32 g/mol, XLogP of 23.25, 36 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(3-morpholin-4-ylphenyl)ethanone;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]benzonitrile;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 159838230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).