3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine

C18H21NO3S2 — CID 3302390

IUPAC3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine
SMILESCCc1ccc(S(=O)(=O)N2CCSC2c2ccccc2OC)cc1
InChIInChI=1S/C18H21NO3S2/c1-3-14-8-10-15(11-9-14)24(20,21)19-12-13-23-18(19)16-6-4-5-7-17(16)22-2/h4-11,18H,3,12-13H2,1-2H3
InChIKeyBKFQSXIZRUDJEF-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.69
Rot. Bonds5

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

3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine (PubChem CID 3302390) has the molecular formula C18H21NO3S2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine
PubChem CID3302390
Molecular FormulaC18H21NO3S2
Molecular Weight363.50 g/mol
Exact Mass363.10
IUPAC Name3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine
SMILESCCc1ccc(S(=O)(=O)N2CCSC2c2ccccc2OC)cc1
InChIInChI=1S/C18H21NO3S2/c1-3-14-8-10-15(11-9-14)24(20,21)19-12-13-23-18(19)16-6-4-5-7-17(16)22-2/h4-11,18H,3,12-13H2,1-2H3
InChIKeyBKFQSXIZRUDJEF-UHFFFAOYSA-N
XLogP3.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine (CID 3302390) is 3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine is CCc1ccc(S(=O)(=O)N2CCSC2c2ccccc2OC)cc1.
What is the InChIKey of 3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine?
The InChIKey is BKFQSXIZRUDJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S2/c1-3-14-8-10-15(11-9-14)24(20,21)19-12-13-23-18(19)16-6-4-5-7-17(16)22-2/h4-11,18H,3,12-13H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine?
3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine has a molecular weight of 363.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 3302390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).