2-[[3-ethylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]methyl]-1,3-dihydroisoindole

C24H32N2O5S2 — CID 166850772

IUPAC2-[[3-ethylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]methyl]-1,3-dihydroisoindole
SMILESCCS(=O)(=O)c1cc(CN2Cc3ccccc3C2)ccc1OCC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C24H32N2O5S2/c1-3-33(29,30)24-14-20(15-25-16-21-6-4-5-7-22(21)17-25)8-9-23(24)31-18-19-10-12-26(13-11-19)32(2,27)28/h4-9,14,19H,3,10-13,15-18H2,1-2H3
InChIKeyISLXGQLJARVJTK-UHFFFAOYSA-N
MW492.66 g/mol
LogP3.05
Rot. Bonds8

About 2-[[3-ethylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]methyl]-1,3-dihydroisoindole

2-[[3-ethylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]methyl]-1,3-dihydroisoindole (PubChem CID 166850772) has the molecular formula C24H32N2O5S2 and a molecular weight of 492.66 g/mol. Its IUPAC name is 2-[[3-ethylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]methyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[[3-ethylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]methyl]-1,3-dihydroisoindole
PubChem CID166850772
Molecular FormulaC24H32N2O5S2
Molecular Weight492.66 g/mol
Exact Mass492.18
IUPAC Name2-[[3-ethylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]methyl]-1,3-dihydroisoindole
SMILESCCS(=O)(=O)c1cc(CN2Cc3ccccc3C2)ccc1OCC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C24H32N2O5S2/c1-3-33(29,30)24-14-20(15-25-16-21-6-4-5-7-22(21)17-25)8-9-23(24)31-18-19-10-12-26(13-11-19)32(2,27)28/h4-9,14,19H,3,10-13,15-18H2,1-2H3
InChIKeyISLXGQLJARVJTK-UHFFFAOYSA-N
XLogP3.05
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[3-ethylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]methyl]-1,3-dihydroisoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-Fluorophenyl)sulfonyl-6-methoxy-2-methyl-1,3-dihydroisoindole
CID 57592481
(3R)-1-[(4-propan-2-yloxyphenyl)methyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]pyrrolidine
CID 148850210
(3R)-1-[[4-(oxan-4-yloxy)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]pyrrolidine
CID 158715213
2-[[3-Ethylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole
CID 166850760
4-Fluoro-2-[[3-methylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]methyl]-1,3-dihydroisoindole
CID 166850818
2-[[4-[(3-Fluoro-4-methylsulfonylphenyl)methoxy]-3-methylsulfonylphenyl]methyl]-1,3-dihydroisoindole
CID 167524974
2-[2,2,2-Trifluoro-1-[3-methylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]ethyl]-1,3-dihydroisoindole
CID 167524977
Imino-methyl-[4-[[2-methylsulfonyl-4-[[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methyl]phenoxy]methyl]phenyl]-oxo-lambda6-sulfane
CID 168802521
2-[2,2,2-Trifluoro-1-[3-methylsulfonyl-4-(piperidin-4-ylmethoxy)phenyl]ethyl]-1,3-dihydroisoindole
CID 169917547
3-((3,4-Dimethylphenyl)sulfonyl)-2-(4-methoxyphenyl)thiazolidine
CID 4410330
2-[5-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ylmethyl)-2-methoxyphenyl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 141351208
4-(Benzenesulfonylmethyl)-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]azepane
CID 142884740

Frequently Asked Questions

What is the IUPAC name of 2-[[3-ethylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]methyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[[3-ethylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]methyl]-1,3-dihydroisoindole (CID 166850772) is 2-[[3-ethylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]methyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[[3-ethylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]methyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[[3-ethylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]methyl]-1,3-dihydroisoindole is CCS(=O)(=O)c1cc(CN2Cc3ccccc3C2)ccc1OCC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-[[3-ethylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]methyl]-1,3-dihydroisoindole?
The InChIKey is ISLXGQLJARVJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S2/c1-3-33(29,30)24-14-20(15-25-16-21-6-4-5-7-22(21)17-25)8-9-23(24)31-18-19-10-12-26(13-11-19)32(2,27)28/h4-9,14,19H,3,10-13,15-18H2,1-2H3.
What are the key properties of 2-[[3-ethylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]methyl]-1,3-dihydroisoindole?
2-[[3-ethylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]methyl]-1,3-dihydroisoindole has a molecular weight of 492.66 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-ethylsulfonyl-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]methyl]-1,3-dihydroisoindole is sourced from PubChem (CID 166850772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).