4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene

C116H146F6N2O23S3 — CID 158897940

About 4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene

4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene (PubChem CID 158897940) has the molecular formula C116H146F6N2O23S3 and a molecular weight of 2146.62 g/mol. Its IUPAC name is 4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene.

Molecular Properties

• Compound Name: 4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene
• PubChem CID: 158897940
• Molecular Formula: C116H146F6N2O23S3
• Molecular Weight: 2146.62 g/mol
• Exact Mass: 2144.94
• IUPAC Name: 4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene
• SMILES: CC(C)(C)O[C@@H]1CCc2c(OC(F)(F)F)cccc21.CC(C)(C)O[C@@H]1COc2c(OC(F)(F)F)cccc21.Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc2c1OC[C@H]2OC(C)(C)C.Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc2c1OC[C@H]2OC(C)(C)C.Cc1ccc(Oc2cccc3c2OC[C@H]3OC(C)(C)C)cn1.Cc1nc(OCCCS(C)(=O)=O)ccc1-c1cccc2c1OC[C@H]2OC(C)(C)C
• InChI: InChI=1S/C25H32O5S.C24H32O5S.C22H29NO5S.C18H21NO3.C14H17F3O2.C13H15F3O3/c1-16-13-19(29-18-9-11-31(26,27)12-10-18)14-17(2)23(16)21-8-6-7-20-22(15-28-24(20)21)30-25(3,4)5;1-16-13-18(27-11-8-12-30(6,25)26)14-17(2)22(16)20-10-7-9-19-21(15-28-23(19)20)29-24(3,4)5;1-15-16(10-11-20(23-15)26-12-7-13-29(5,24)25)17-8-6-9-18-19(14-27-21(17)18)28-22(2,3)4;1-12-8-9-13(10-19-12)21-15-7-5-6-14-16(11-20-17(14)15)22-18(2,3)4;1-13(2,3)18-12-8-7-10-9(12)5-4-6-11(10)19-14(15,16)17;1-12(2,3)18-10-7-17-11-8(10)5-4-6-9(11)19-13(14,15)16/h6-8,13-14,18,22H,9-12,15H2,1-5H3;7,9-10,13-14,21H,8,11-12,15H2,1-6H3;6,8-11,19H,7,12-14H2,1-5H3;5-10,16H,11H2,1-4H3;4-6,12H,7-8H2,1-3H3;4-6,10H,7H2,1-3H3/t22-;21-;19-;16-;12-;10-/m111111/s1
• InChIKey: JFBNRACQSXNNTR-SLPWKGPHSA-N
• XLogP: 26.98
• TPSA: 285.11 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2146.62
LogP ≤ 5	26.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene?

The IUPAC name of 4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene (CID 158897940) is 4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene.

What is the SMILES notation for 4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene?

The canonical SMILES for 4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene is CC(C)(C)O[C@@H]1CCc2c(OC(F)(F)F)cccc21.CC(C)(C)O[C@@H]1COc2c(OC(F)(F)F)cccc21.Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc2c1OC[C@H]2OC(C)(C)C.Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc2c1OC[C@H]2OC(C)(C)C.Cc1ccc(Oc2cccc3c2OC[C@H]3OC(C)(C)C)cn1.Cc1nc(OCCCS(C)(=O)=O)ccc1-c1cccc2c1OC[C@H]2OC(C)(C)C.

What is the InChIKey of 4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene?

The InChIKey is JFBNRACQSXNNTR-SLPWKGPHSA-N. The full InChI is InChI=1S/C25H32O5S.C24H32O5S.C22H29NO5S.C18H21NO3.C14H17F3O2.C13H15F3O3/c1-16-13-19(29-18-9-11-31(26,27)12-10-18)14-17(2)23(16)21-8-6-7-20-22(15-28-24(20)21)30-25(3,4)5;1-16-13-18(27-11-8-12-30(6,25)26)14-17(2)22(16)20-10-7-9-19-21(15-28-23(19)20)29-24(3,4)5;1-15-16(10-11-20(23-15)26-12-7-13-29(5,24)25)17-8-6-9-18-19(14-27-21(17)18)28-22(2,3)4;1-12-8-9-13(10-19-12)21-15-7-5-6-14-16(11-20-17(14)15)22-18(2,3)4;1-13(2,3)18-12-8-7-10-9(12)5-4-6-11(10)19-14(15,16)17;1-12(2,3)18-10-7-17-11-8(10)5-4-6-9(11)19-13(14,15)16/h6-8,13-14,18,22H,9-12,15H2,1-5H3;7,9-10,13-14,21H,8,11-12,15H2,1-6H3;6,8-11,19H,7,12-14H2,1-5H3;5-10,16H,11H2,1-4H3;4-6,12H,7-8H2,1-3H3;4-6,10H,7H2,1-3H3/t22-;21-;19-;16-;12-;10-/m111111/s1.

What are the key properties of 4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene?

4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene has a molecular weight of 2146.62 g/mol, XLogP of 26.98, 25 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene is sourced from PubChem (CID 158897940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).