2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine

C18H21NO4S2 — CID 3144171

IUPAC2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(OC)c(C2SCCN2S(=O)(=O)c2cccc(C)c2)c1
InChIInChI=1S/C18H21NO4S2/c1-13-5-4-6-15(11-13)25(20,21)19-9-10-24-18(19)16-12-14(22-2)7-8-17(16)23-3/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyWHCSBSHQTDMCNC-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.45
Rot. Bonds5

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

2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 3144171) has the molecular formula C18H21NO4S2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID3144171
Molecular FormulaC18H21NO4S2
Molecular Weight379.50 g/mol
Exact Mass379.09
IUPAC Name2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(OC)c(C2SCCN2S(=O)(=O)c2cccc(C)c2)c1
InChIInChI=1S/C18H21NO4S2/c1-13-5-4-6-15(11-13)25(20,21)19-9-10-24-18(19)16-12-14(22-2)7-8-17(16)23-3/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyWHCSBSHQTDMCNC-UHFFFAOYSA-N
XLogP3.45
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine (CID 3144171) is 2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine is COc1ccc(OC)c(C2SCCN2S(=O)(=O)c2cccc(C)c2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is WHCSBSHQTDMCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S2/c1-13-5-4-6-15(11-13)25(20,21)19-9-10-24-18(19)16-12-14(22-2)7-8-17(16)23-3/h4-8,11-12,18H,9-10H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine?
2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 379.50 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 3144171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).