(2S)-2-(3,4-dimethoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine

C21H21NO4S2 — CID 1111413

IUPAC(2S)-2-(3,4-dimethoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine
SMILESCOc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C21H21NO4S2/c1-25-19-10-8-17(14-20(19)26-2)21-22(11-12-27-21)28(23,24)18-9-7-15-5-3-4-6-16(15)13-18/h3-10,13-14,21H,11-12H2,1-2H3/t21-/m0/s1
InChIKeyFFAUIISTKPUCHT-NRFANRHFSA-N
MW415.54 g/mol
LogP4.29
Rot. Bonds5

About (2S)-2-(3,4-dimethoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine

(2S)-2-(3,4-dimethoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine (PubChem CID 1111413) has the molecular formula C21H21NO4S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine
PubChem CID1111413
Molecular FormulaC21H21NO4S2
Molecular Weight415.54 g/mol
Exact Mass415.09
IUPAC Name(2S)-2-(3,4-dimethoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine
SMILESCOc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C21H21NO4S2/c1-25-19-10-8-17(14-20(19)26-2)21-22(11-12-27-21)28(23,24)18-9-7-15-5-3-4-6-16(15)13-18/h3-10,13-14,21H,11-12H2,1-2H3/t21-/m0/s1
InChIKeyFFAUIISTKPUCHT-NRFANRHFSA-N
XLogP4.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122345675
2-(2-methoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine
CID 3383864
(2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1111409
3-naphthalen-2-ylsulfonyl-2-phenyl-1,3-thiazolidine
CID 2848104
5-[[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide
CID 122345792
1-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]pyrrolidine-2,5-dione
CID 122345796
2-(3-bromo-4-methoxyphenyl)-3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122329866
3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine
CID 3640975
(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
(2R)-2-(4-methoxy-3-nitrophenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1104663
(2S)-2-(3-bromo-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1111374

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine?
The IUPAC name of (2S)-2-(3,4-dimethoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine (CID 1111413) is (2S)-2-(3,4-dimethoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine.
What is the SMILES notation for (2S)-2-(3,4-dimethoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine?
The canonical SMILES for (2S)-2-(3,4-dimethoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine is COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1OC.
What is the InChIKey of (2S)-2-(3,4-dimethoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine?
The InChIKey is FFAUIISTKPUCHT-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21NO4S2/c1-25-19-10-8-17(14-20(19)26-2)21-22(11-12-27-21)28(23,24)18-9-7-15-5-3-4-6-16(15)13-18/h3-10,13-14,21H,11-12H2,1-2H3/t21-/m0/s1.
What are the key properties of (2S)-2-(3,4-dimethoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine?
(2S)-2-(3,4-dimethoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine has a molecular weight of 415.54 g/mol, XLogP of 4.29, 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-naphthalen-2-ylsulfonyl-1,3-thiazolidine is sourced from PubChem (CID 1111413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).