2-(4,7-dimethyl-1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)ethanone

C133H156F6N2O21S7 — CID 157293036

About 2-(4,7-dimethyl-1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)ethanone

2-(4,7-dimethyl-1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)ethanone (PubChem CID 157293036) has the molecular formula C133H156F6N2O21S7 and a molecular weight of 2457.16 g/mol. Its IUPAC name is 2-(4,7-dimethyl-1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)ethanone.

Molecular Properties

• Compound Name: 2-(4,7-dimethyl-1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)ethanone
• PubChem CID: 157293036
• Molecular Formula: C133H156F6N2O21S7
• Molecular Weight: 2457.16 g/mol
• Exact Mass: 2454.91
• IUPAC Name: 2-(4,7-dimethyl-1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)ethanone
• SMILES: CC(C)S(=O)(=O)Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1.CC1COc2ccc(CC(=O)c3ccc(CS(=O)(=O)C(C)C)cc3)cc2O1.CC1c2ccc(CC(=O)c3ccc(CS(=O)(=O)C(C)C)cc3)cc2C(C)C1C.Cc1c(CC(=O)c2ccc(CS(=O)(=O)C(C)C)cc2)ccc(C(F)(F)F)c1C.Cc1cc(CC(=O)c2ccc(CS(=O)(=O)C(C)C)cc2)c(C)c2scnc12.Cc1cc(N2C[C@H](C)O[C@H](C)C2C)c(C)cc1CC(=O)c1ccc(CS(=O)(=O)C(C)C)cc1
• InChI: InChI=1S/C27H37NO4S.C24H30O3S.C21H23F3O3S.C21H23NO3S2.C21H24O5S.C19H19F3O3S/c1-17(2)33(30,31)16-23-8-10-24(11-9-23)27(29)14-25-12-19(4)26(13-18(25)3)28-15-20(5)32-22(7)21(28)6;1-15(2)28(26,27)14-19-6-9-21(10-7-19)24(25)13-20-8-11-22-17(4)16(3)18(5)23(22)12-20;1-13(2)28(26,27)12-16-5-7-17(8-6-16)20(25)11-18-9-10-19(21(22,23)24)15(4)14(18)3;1-13(2)27(24,25)11-16-5-7-17(8-6-16)19(23)10-18-9-14(3)20-21(15(18)4)26-12-22-20;1-14(2)27(23,24)13-16-4-7-18(8-5-16)19(22)10-17-6-9-20-21(11-17)26-15(3)12-25-20;1-13(2)26(24,25)12-14-6-8-16(9-7-14)18(23)11-15-4-3-5-17(10-15)19(20,21)22/h8-13,17,20-22H,14-16H2,1-7H3;6-12,15-18H,13-14H2,1-5H3;5-10,13H,11-12H2,1-4H3;5-9,12-13H,10-11H2,1-4H3;4-9,11,14-15H,10,12-13H2,1-3H3;3-10,13H,11-12H2,1-2H3/t20-,21?,22+;;;;;/m0...../s1
• InChIKey: BBAIFWMZWDWHJT-JAUPZHLYSA-N
• XLogP: 28.13
• TPSA: 351.08 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 37
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2457.16
LogP ≤ 5	28.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethyl-1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)ethanone?

The IUPAC name of 2-(4,7-dimethyl-1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)ethanone (CID 157293036) is 2-(4,7-dimethyl-1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)ethanone.

What is the SMILES notation for 2-(4,7-dimethyl-1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)ethanone?

The canonical SMILES for 2-(4,7-dimethyl-1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)ethanone is CC(C)S(=O)(=O)Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1.CC1COc2ccc(CC(=O)c3ccc(CS(=O)(=O)C(C)C)cc3)cc2O1.CC1c2ccc(CC(=O)c3ccc(CS(=O)(=O)C(C)C)cc3)cc2C(C)C1C.Cc1c(CC(=O)c2ccc(CS(=O)(=O)C(C)C)cc2)ccc(C(F)(F)F)c1C.Cc1cc(CC(=O)c2ccc(CS(=O)(=O)C(C)C)cc2)c(C)c2scnc12.Cc1cc(N2C[C@H](C)O[C@H](C)C2C)c(C)cc1CC(=O)c1ccc(CS(=O)(=O)C(C)C)cc1.

What is the InChIKey of 2-(4,7-dimethyl-1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)ethanone?

The InChIKey is BBAIFWMZWDWHJT-JAUPZHLYSA-N. The full InChI is InChI=1S/C27H37NO4S.C24H30O3S.C21H23F3O3S.C21H23NO3S2.C21H24O5S.C19H19F3O3S/c1-17(2)33(30,31)16-23-8-10-24(11-9-23)27(29)14-25-12-19(4)26(13-18(25)3)28-15-20(5)32-22(7)21(28)6;1-15(2)28(26,27)14-19-6-9-21(10-7-19)24(25)13-20-8-11-22-17(4)16(3)18(5)23(22)12-20;1-13(2)28(26,27)12-16-5-7-17(8-6-16)20(25)11-18-9-10-19(21(22,23)24)15(4)14(18)3;1-13(2)27(24,25)11-16-5-7-17(8-6-16)19(23)10-18-9-14(3)20-21(15(18)4)26-12-22-20;1-14(2)27(23,24)13-16-4-7-18(8-5-16)19(22)10-17-6-9-20-21(11-17)26-15(3)12-25-20;1-13(2)26(24,25)12-14-6-8-16(9-7-14)18(23)11-15-4-3-5-17(10-15)19(20,21)22/h8-13,17,20-22H,14-16H2,1-7H3;6-12,15-18H,13-14H2,1-5H3;5-10,13H,11-12H2,1-4H3;5-9,12-13H,10-11H2,1-4H3;4-9,11,14-15H,10,12-13H2,1-3H3;3-10,13H,11-12H2,1-2H3/t20-,21?,22+;;;;;/m0...../s1.

What are the key properties of 2-(4,7-dimethyl-1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)ethanone?

2-(4,7-dimethyl-1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)ethanone has a molecular weight of 2457.16 g/mol, XLogP of 28.13, 37 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,7-dimethyl-1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)phenyl]-2-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 157293036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).