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

C18H21NO5S2 — CID 649048

IUPAC2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(S(=O)(=O)N2CCSC2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H21NO5S2/c1-22-14-5-7-15(8-6-14)26(20,21)19-10-11-25-18(19)13-4-9-16(23-2)17(12-13)24-3/h4-9,12,18H,10-11H2,1-3H3
InChIKeyIVTLLFZPQLXFHZ-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.15
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 649048) has the molecular formula C18H21NO5S2 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
PubChem CID649048
Molecular FormulaC18H21NO5S2
Molecular Weight395.50 g/mol
Exact Mass395.09
IUPAC Name2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(S(=O)(=O)N2CCSC2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H21NO5S2/c1-22-14-5-7-15(8-6-14)26(20,21)19-10-11-25-18(19)13-4-9-16(23-2)17(12-13)24-3/h4-9,12,18H,10-11H2,1-3H3
InChIKeyIVTLLFZPQLXFHZ-UHFFFAOYSA-N
XLogP3.15
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 2860044
4-{2-[(3,4-Dimethoxybenzyl)amino]ethyl}benzenesulfonamide
CID 4722332
4-(3,4-Dimethoxybenzyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 2767989
2-(3,4-Dimethoxy-phenyl)-3-(4-fluoro-benzenesulfonyl)-thiazolidine
CID 656153
6,7-Dimethoxy-2-(4-methoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline
CID 1072691
1-(3,4-Dimethoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 1122329
2-[(1-Benzyl-4-fluoropiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 168296690
3-Benzenesulfonyl-2-(3,4-dimethoxy-phenyl)-thiazolidine
CID 652980
N-(3,4-dimethoxybenzyl)-4-methoxy-N-[3-(morpholin-4-yl)propyl]benzenesulfonamide
CID 665446
Benzene-1,4-disulfonic acid 1-(cyclohexyl-methyl-amide) 4-{[2-(3,4-dimethoxy-phenyl)-ethyl]-thiophen-2-ylmethyl-amide}
CID 1168573
2-(4-Methoxyphenyl)-1,3-thiazolan-3-yl phenyl sulfone
CID 2859306
N1-butan-2-yl-N4-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 3185254

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine (CID 649048) is 2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine is COc1ccc(S(=O)(=O)N2CCSC2c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is IVTLLFZPQLXFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S2/c1-22-14-5-7-15(8-6-14)26(20,21)19-10-11-25-18(19)13-4-9-16(23-2)17(12-13)24-3/h4-9,12,18H,10-11H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine?
2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 395.50 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 649048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).