2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine

C18H21NO5S2 — CID 3144176

IUPAC2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(S(=O)(=O)N2CCSC2c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C18H21NO5S2/c1-22-13-4-7-15(8-5-13)26(20,21)19-10-11-25-18(19)16-12-14(23-2)6-9-17(16)24-3/h4-9,12,18H,10-11H2,1-3H3
InChIKeyZNHUEPZQADYXPQ-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.15
Rot. Bonds6

About 2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine

2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 3144176) has the molecular formula C18H21NO5S2 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
PubChem CID3144176
Molecular FormulaC18H21NO5S2
Molecular Weight395.50 g/mol
Exact Mass395.09
IUPAC Name2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(S(=O)(=O)N2CCSC2c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C18H21NO5S2/c1-22-13-4-7-15(8-5-13)26(20,21)19-10-11-25-18(19)16-12-14(23-2)6-9-17(16)24-3/h4-9,12,18H,10-11H2,1-3H3
InChIKeyZNHUEPZQADYXPQ-UHFFFAOYSA-N
XLogP3.15
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-Dimethoxy-phenyl)-3-(4-fluoro-benzenesulfonyl)-thiazolidine
CID 656153
1-(Benzenesulfonyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 1122528
N-(2,5-dimethoxybenzyl)-4-methoxy-N-[2-(morpholin-4-yl)ethyl]benzenesulfonamide
CID 665777
1-(5-methoxy-2-(4-(methylthio)phenoxy)phenyl)-N,N-dimethylmethanamine
CID 23378663
2-(2,5-Dimethoxyphenyl)-3-(methylsulfonyl)-1,3-thiazolidine
CID 3151547
2-(2-Methoxy-phenyl)-3-(3-trifluoromethyl-benzenesulfonyl)-thiazolidine
CID 646735
3-Benzenesulfonyl-2-(3,4-dimethoxy-phenyl)-thiazolidine
CID 652980
2-(4-Methoxyphenyl)-1,3-thiazolan-3-yl phenyl sulfone
CID 2859306
2-(2,5-Dimethoxyphenyl)-3-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,3-thiazolidine
CID 3236242
3-(Benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 4174260
3-(4-Fluoro-benzenesulfonyl)-2-(2,4,5-trimethoxy-phenyl)-thiazolidine
CID 655645
2-(2-Methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine
CID 664712

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine (CID 3144176) is 2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine is COc1ccc(S(=O)(=O)N2CCSC2c2cc(OC)ccc2OC)cc1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is ZNHUEPZQADYXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S2/c1-22-13-4-7-15(8-5-13)26(20,21)19-10-11-25-18(19)16-12-14(23-2)6-9-17(16)24-3/h4-9,12,18H,10-11H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine?
2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 395.50 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 3144176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).