5-[[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide

C19H22N2O6S2 — CID 122330364

IUPAC5-[[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide
SMILESCOc1ccc(OC)c(C2SCCN2S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)c1
InChIInChI=1S/C19H22N2O6S2/c1-25-12-4-6-17(27-3)15(10-12)19-21(8-9-28-19)29(23,24)13-5-7-16(26-2)14(11-13)18(20)22/h4-7,10-11,19H,8-9H2,1-3H3,(H2,20,22)
InChIKeyVAHFBLPNWNPQNP-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.25
Rot. Bonds7

About 5-[[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide

5-[[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide (PubChem CID 122330364) has the molecular formula C19H22N2O6S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 5-[[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide
PubChem CID122330364
Molecular FormulaC19H22N2O6S2
Molecular Weight438.53 g/mol
Exact Mass438.09
IUPAC Name5-[[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide
SMILESCOc1ccc(OC)c(C2SCCN2S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)c1
InChIInChI=1S/C19H22N2O6S2/c1-25-12-4-6-17(27-3)15(10-12)19-21(8-9-28-19)29(23,24)13-5-7-16(26-2)14(11-13)18(20)22/h4-7,10-11,19H,8-9H2,1-3H3,(H2,20,22)
InChIKeyVAHFBLPNWNPQNP-UHFFFAOYSA-N
XLogP2.25
TPSA108.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1143496
2-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3144172
5-[[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide
CID 122345792
(2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
CID 1143484
(2S)-2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1143477
2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine
CID 122330248
(2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine
CID 40837331
2-(5-bromo-2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3785998
2-(2-methoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine
CID 3383864
2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
CID 3123287
(2R)-2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
CID 1111423
3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
CID 122330380

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide?
The IUPAC name of 5-[[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide (CID 122330364) is 5-[[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide.
What is the SMILES notation for 5-[[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide?
The canonical SMILES for 5-[[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide is COc1ccc(OC)c(C2SCCN2S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)c1.
What is the InChIKey of 5-[[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide?
The InChIKey is VAHFBLPNWNPQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S2/c1-25-12-4-6-17(27-3)15(10-12)19-21(8-9-28-19)29(23,24)13-5-7-16(26-2)14(11-13)18(20)22/h4-7,10-11,19H,8-9H2,1-3H3,(H2,20,22).
What are the key properties of 5-[[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide?
5-[[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide has a molecular weight of 438.53 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide is sourced from PubChem (CID 122330364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).