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

C18H21NO4S2 — CID 1143477

IUPAC(2S)-2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(OC)c([C@@H]2SCCN2S(=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/t18-/m0/s1
InChIKeyWHCSBSHQTDMCNC-SFHVURJKSA-N
MW379.50 g/mol
LogP3.45
Rot. Bonds5

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

(2S)-2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 1143477) has the molecular formula C18H21NO4S2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (2S)-2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID1143477
Molecular FormulaC18H21NO4S2
Molecular Weight379.50 g/mol
Exact Mass379.09
IUPAC Name(2S)-2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(OC)c([C@@H]2SCCN2S(=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/t18-/m0/s1
InChIKeyWHCSBSHQTDMCNC-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

2-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3144172
(2R)-2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1143496
(2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
CID 1143484
5-[[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide
CID 122330364
2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine
CID 122330248
(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
(2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine
CID 7013332
(2R)-2-(4-methoxy-3-nitrophenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1104663
2-(5-bromo-2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3785998
2-(5-bromo-2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine
CID 4912988
2-(2-methoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine
CID 3383864

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of (2S)-2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine (CID 1143477) is (2S)-2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for (2S)-2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for (2S)-2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine is COc1ccc(OC)c([C@@H]2SCCN2S(=O)(=O)c2cccc(C)c2)c1.
What is the InChIKey of (2S)-2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is WHCSBSHQTDMCNC-SFHVURJKSA-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/t18-/m0/s1.
What are the key properties of (2S)-2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine?
(2S)-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 (2S)-2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 1143477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).