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

C20H25NO5S2 — CID 122330248

IUPAC2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(OC)c(C2SCCN2S(=O)(=O)c2cc(C)c(OC)cc2C)c1
InChIInChI=1S/C20H25NO5S2/c1-13-11-19(14(2)10-18(13)26-5)28(22,23)21-8-9-27-20(21)16-12-15(24-3)6-7-17(16)25-4/h6-7,10-12,20H,8-9H2,1-5H3
InChIKeyMOGVTIDAQMWNGD-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.77
Rot. Bonds6

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

2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 122330248) has the molecular formula C20H25NO5S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID122330248
Molecular FormulaC20H25NO5S2
Molecular Weight423.56 g/mol
Exact Mass423.12
IUPAC Name2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(OC)c(C2SCCN2S(=O)(=O)c2cc(C)c(OC)cc2C)c1
InChIInChI=1S/C20H25NO5S2/c1-13-11-19(14(2)10-18(13)26-5)28(22,23)21-8-9-27-20(21)16-12-15(24-3)6-7-17(16)25-4/h6-7,10-12,20H,8-9H2,1-5H3
InChIKeyMOGVTIDAQMWNGD-UHFFFAOYSA-N
XLogP3.77
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1143496
2-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3144172
(2S)-2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1143477
(2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
CID 1143484
3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
CID 122330380
5-[[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide
CID 122330364
3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 122330878
3-(4-fluoro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 122330920
2-(5-bromo-2-methoxyphenyl)-3-(2,4-diethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122330225
(2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine
CID 40837331
2-(5-bromo-2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3785998
3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 122330957

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine (CID 122330248) is 2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine is COc1ccc(OC)c(C2SCCN2S(=O)(=O)c2cc(C)c(OC)cc2C)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is MOGVTIDAQMWNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S2/c1-13-11-19(14(2)10-18(13)26-5)28(22,23)21-8-9-27-20(21)16-12-15(24-3)6-7-17(16)25-4/h6-7,10-12,20H,8-9H2,1-5H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine?
2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 423.56 g/mol, XLogP of 3.77, 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-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 122330248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).