2-(1,3-benzothiazol-6-yl)-1-[4-(tert-butylsulfonylmethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone

C128H152F6N2O21S7 — CID 159017533

About 2-(1,3-benzothiazol-6-yl)-1-[4-(tert-butylsulfonylmethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone

2-(1,3-benzothiazol-6-yl)-1-[4-(tert-butylsulfonylmethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 159017533) has the molecular formula C128H152F6N2O21S7 and a molecular weight of 2393.07 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-6-yl)-1-[4-(tert-butylsulfonylmethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

• Compound Name: 2-(1,3-benzothiazol-6-yl)-1-[4-(tert-butylsulfonylmethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
• PubChem CID: 159017533
• Molecular Formula: C128H152F6N2O21S7
• Molecular Weight: 2393.07 g/mol
• Exact Mass: 2390.88
• IUPAC Name: 2-(1,3-benzothiazol-6-yl)-1-[4-(tert-butylsulfonylmethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
• SMILES: CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cccc(C(F)(F)F)c2)CC1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(C(F)(F)F)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc3c(c2)CCC3)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc3c(c2)OCCO3)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc3ncsc3c2)cc1.C[C@@H]1CN(c2ccc(CC(=O)c3ccc(CS(=O)(=O)C(C)(C)C)cc3)cc2)C[C@H](C)O1
• InChI: InChI=1S/C25H33NO4S.C22H26O3S.C21H24O5S.C20H21F3O3S.C20H27F3O3S.C20H21NO3S2/c1-18-15-26(16-19(2)30-18)23-12-8-20(9-13-23)14-24(27)22-10-6-21(7-11-22)17-31(28,29)25(3,4)5;1-22(2,3)26(24,25)15-16-7-11-19(12-8-16)21(23)14-17-9-10-18-5-4-6-20(18)13-17;1-21(2,3)27(23,24)14-15-4-7-17(8-5-15)18(22)12-16-6-9-19-20(13-16)26-11-10-25-19;1-19(2,3)27(25,26)13-15-4-8-16(9-5-15)18(24)12-14-6-10-17(11-7-14)20(21,22)23;1-19(2,3)27(25,26)13-14-7-9-16(10-8-14)18(24)12-15-5-4-6-17(11-15)20(21,22)23;1-20(2,3)26(23,24)12-14-4-7-16(8-5-14)18(22)10-15-6-9-17-19(11-15)25-13-21-17/h6-13,18-19H,14-17H2,1-5H3;7-13H,4-6,14-15H2,1-3H3;4-9,13H,10-12,14H2,1-3H3;4-11H,12-13H2,1-3H3;4-6,11,14,16H,7-10,12-13H2,1-3H3;4-9,11,13H,10,12H2,1-3H3/t18-,19+
• InChIKey: JTGYJTOBFNCTQZ-CXDJFJLRSA-N
• XLogP: 26.47
• TPSA: 351.08 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2393.07
LogP ≤ 5	26.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-6-yl)-1-[4-(tert-butylsulfonylmethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone?

The IUPAC name of 2-(1,3-benzothiazol-6-yl)-1-[4-(tert-butylsulfonylmethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone (CID 159017533) is 2-(1,3-benzothiazol-6-yl)-1-[4-(tert-butylsulfonylmethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone.

What is the SMILES notation for 2-(1,3-benzothiazol-6-yl)-1-[4-(tert-butylsulfonylmethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone?

The canonical SMILES for 2-(1,3-benzothiazol-6-yl)-1-[4-(tert-butylsulfonylmethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone is CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cccc(C(F)(F)F)c2)CC1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(C(F)(F)F)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc3c(c2)CCC3)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc3c(c2)OCCO3)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc3ncsc3c2)cc1.C[C@@H]1CN(c2ccc(CC(=O)c3ccc(CS(=O)(=O)C(C)(C)C)cc3)cc2)C[C@H](C)O1.

What is the InChIKey of 2-(1,3-benzothiazol-6-yl)-1-[4-(tert-butylsulfonylmethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone?

The InChIKey is JTGYJTOBFNCTQZ-CXDJFJLRSA-N. The full InChI is InChI=1S/C25H33NO4S.C22H26O3S.C21H24O5S.C20H21F3O3S.C20H27F3O3S.C20H21NO3S2/c1-18-15-26(16-19(2)30-18)23-12-8-20(9-13-23)14-24(27)22-10-6-21(7-11-22)17-31(28,29)25(3,4)5;1-22(2,3)26(24,25)15-16-7-11-19(12-8-16)21(23)14-17-9-10-18-5-4-6-20(18)13-17;1-21(2,3)27(23,24)14-15-4-7-17(8-5-15)18(22)12-16-6-9-19-20(13-16)26-11-10-25-19;1-19(2,3)27(25,26)13-15-4-8-16(9-5-15)18(24)12-14-6-10-17(11-7-14)20(21,22)23;1-19(2,3)27(25,26)13-14-7-9-16(10-8-14)18(24)12-15-5-4-6-17(11-15)20(21,22)23;1-20(2,3)26(23,24)12-14-4-7-16(8-5-14)18(22)10-15-6-9-17-19(11-15)25-13-21-17/h6-13,18-19H,14-17H2,1-5H3;7-13H,4-6,14-15H2,1-3H3;4-9,13H,10-12,14H2,1-3H3;4-11H,12-13H2,1-3H3;4-6,11,14,16H,7-10,12-13H2,1-3H3;4-9,11,13H,10,12H2,1-3H3/t18-,19+;;;;;.

What are the key properties of 2-(1,3-benzothiazol-6-yl)-1-[4-(tert-butylsulfonylmethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone?

2-(1,3-benzothiazol-6-yl)-1-[4-(tert-butylsulfonylmethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 2393.07 g/mol, XLogP of 26.47, 31 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzothiazol-6-yl)-1-[4-(tert-butylsulfonylmethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 159017533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).