4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;(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

C124H158F3N5O24S3 — CID 159808209

IUPAC4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;(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
SMILESCC(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(N2CCOCC2)nc(C)c1-c1cccc2c1OC[C@H]2OC(C)(C)C.Cc1nc(OCCCS(C)(=O)=O)ccc1-c1cccc2c1OC[C@H]2OC(C)(C)C
InChIInChI=1S/C25H32O5S.C24H32O5S.C22H29N3O3.C22H29NO5S.C18H21NO3.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;1-14-19(15(2)24-21(23-14)25-9-11-26-12-10-25)17-8-6-7-16-18(13-27-20(16)17)28-22(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;1-12(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;6-8,18H,9-13H2,1-5H3;6,8-11,19H,7,12-14H2,1-5H3;5-10,16H,11H2,1-4H3;4-6,10H,7H2,1-3H3/t22-;21-;18-;19-;16-;10-/m111111/s1
InChIKeyNKRDAUIBQMOVQS-OOLHXIOCSA-N
MW2255.83 g/mol
LogP26.44
Rot. Bonds26

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;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;(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

4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;(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 (PubChem CID 159808209) has the molecular formula C124H158F3N5O24S3 and a molecular weight of 2255.83 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;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;(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.

Molecular Properties

Compound Name4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;(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
PubChem CID159808209
Molecular FormulaC124H158F3N5O24S3
Molecular Weight2255.83 g/mol
Exact Mass2254.04
IUPAC Name4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;(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
SMILESCC(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(N2CCOCC2)nc(C)c1-c1cccc2c1OC[C@H]2OC(C)(C)C.Cc1nc(OCCCS(C)(=O)=O)ccc1-c1cccc2c1OC[C@H]2OC(C)(C)C
InChIInChI=1S/C25H32O5S.C24H32O5S.C22H29N3O3.C22H29NO5S.C18H21NO3.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;1-14-19(15(2)24-21(23-14)25-9-11-26-12-10-25)17-8-6-7-16-18(13-27-20(16)17)28-22(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;1-12(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;6-8,18H,9-13H2,1-5H3;6,8-11,19H,7,12-14H2,1-5H3;5-10,16H,11H2,1-4H3;4-6,10H,7H2,1-3H3/t22-;21-;18-;19-;16-;10-/m111111/s1
InChIKeyNKRDAUIBQMOVQS-OOLHXIOCSA-N
XLogP26.44
TPSA323.36 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002255.83
LogP ≤ 526.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;(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 with MolForge

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Launch Full Analysis

Related Compounds

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
(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;(1R)-6-fluoro-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-2,3-dihydro-1H-indene;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;(1R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-indene;(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 158945871
5-[4-[[7-[2,6-Dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;bis(5-[4-[[7-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one);bis(5-[4-[[7-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one);bis(5-[4-[[7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one)
CID 158161609
2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methyl-2,3-dihydrothiophene 1,1-dioxide;2-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(6-methoxy-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide
CID 162165054

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;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;(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?
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;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;(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 (CID 159808209) 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;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;(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.
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;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;(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?
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;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;(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 is 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(N2CCOCC2)nc(C)c1-c1cccc2c1OC[C@H]2OC(C)(C)C.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;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;(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?
The InChIKey is NKRDAUIBQMOVQS-OOLHXIOCSA-N. The full InChI is InChI=1S/C25H32O5S.C24H32O5S.C22H29N3O3.C22H29NO5S.C18H21NO3.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;1-14-19(15(2)24-21(23-14)25-9-11-26-12-10-25)17-8-6-7-16-18(13-27-20(16)17)28-22(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;1-12(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;6-8,18H,9-13H2,1-5H3;6,8-11,19H,7,12-14H2,1-5H3;5-10,16H,11H2,1-4H3;4-6,10H,7H2,1-3H3/t22-;21-;18-;19-;16-;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;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;(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?
4-[3,5-dimethyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]phenoxy]thiane 1,1-dioxide;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;(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 has a molecular weight of 2255.83 g/mol, XLogP of 26.44, 26 rotatable bonds, 0 hydrogen bond donors, and 29 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;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;(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 is sourced from PubChem (CID 159808209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).