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

C19H23NO5S2 — CID 3144177

IUPAC2-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCSC2c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C19H23NO5S2/c1-4-25-14-5-8-16(9-6-14)27(21,22)20-11-12-26-19(20)17-13-15(23-2)7-10-18(17)24-3/h5-10,13,19H,4,11-12H2,1-3H3
InChIKeyFLDBCSHBJGFBKG-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.54
Rot. Bonds7

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

2-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 3144177) has the molecular formula C19H23NO5S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
PubChem CID3144177
Molecular FormulaC19H23NO5S2
Molecular Weight409.53 g/mol
Exact Mass409.10
IUPAC Name2-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCSC2c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C19H23NO5S2/c1-4-25-14-5-8-16(9-6-14)27(21,22)20-11-12-26-19(20)17-13-15(23-2)7-10-18(17)24-3/h5-10,13,19H,4,11-12H2,1-3H3
InChIKeyFLDBCSHBJGFBKG-UHFFFAOYSA-N
XLogP3.54
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine (CID 3144177) is 2-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine is CCOc1ccc(S(=O)(=O)N2CCSC2c2cc(OC)ccc2OC)cc1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is FLDBCSHBJGFBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S2/c1-4-25-14-5-8-16(9-6-14)27(21,22)20-11-12-26-19(20)17-13-15(23-2)7-10-18(17)24-3/h5-10,13,19H,4,11-12H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
2-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 409.53 g/mol, XLogP of 3.54, 7 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-ethoxyphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 3144177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).