(2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine

C18H21NO4S2 — CID 1111409

IUPAC(2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H21NO4S2/c1-13-4-7-15(8-5-13)25(20,21)19-10-11-24-18(19)14-6-9-16(22-2)17(12-14)23-3/h4-9,12,18H,10-11H2,1-3H3/t18-/m0/s1
InChIKeyARKWLIGWINTEEK-SFHVURJKSA-N
MW379.50 g/mol
LogP3.45
Rot. Bonds5

About (2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine

(2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 1111409) has the molecular formula C18H21NO4S2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID1111409
Molecular FormulaC18H21NO4S2
Molecular Weight379.50 g/mol
Exact Mass379.09
IUPAC Name(2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H21NO4S2/c1-13-4-7-15(8-5-13)25(20,21)19-10-11-24-18(19)14-6-9-16(22-2)17(12-14)23-3/h4-9,12,18H,10-11H2,1-3H3/t18-/m0/s1
InChIKeyARKWLIGWINTEEK-SFHVURJKSA-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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Related Compounds

(2S)-2-(3-bromo-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1111374
5-[[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide
CID 122345792
2-(3,4-dimethoxyphenyl)-3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122345675
1-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]pyrrolidine-2,5-dione
CID 122345796
(2S)-2-(3,4-dimethoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine
CID 1111413
2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2858670
2-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3144172
2-(5-bromo-2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3785998
(2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine
CID 98128921
(2R)-2-(3-bromo-4-methoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1247730
(2S)-2-(3-bromo-4-methoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1247727
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2847064

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of (2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine (CID 1111409) is (2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for (2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for (2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine is COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of (2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is ARKWLIGWINTEEK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21NO4S2/c1-13-4-7-15(8-5-13)25(20,21)19-10-11-24-18(19)14-6-9-16(22-2)17(12-14)23-3/h4-9,12,18H,10-11H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
(2S)-2-(3,4-dimethoxyphenyl)-3-(4-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 (2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 1111409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).