3-(4-methylsulfonylphenoxy)-5-(oxolan-3-yloxy)-N-(1,3-thiazol-2-yl)benzamide

C21H20N2O6S2 — CID 10344232

IUPAC3-(4-methylsulfonylphenoxy)-5-(oxolan-3-yloxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCS(=O)(=O)c1ccc(Oc2cc(OC3CCOC3)cc(C(=O)Nc3nccs3)c2)cc1
InChIInChI=1S/C21H20N2O6S2/c1-31(25,26)19-4-2-15(3-5-19)28-17-10-14(20(24)23-21-22-7-9-30-21)11-18(12-17)29-16-6-8-27-13-16/h2-5,7,9-12,16H,6,8,13H2,1H3,(H,22,23,24)
InChIKeyUQHVRVYGEAIGAH-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.76
Rot. Bonds7

About 3-(4-methylsulfonylphenoxy)-5-(oxolan-3-yloxy)-N-(1,3-thiazol-2-yl)benzamide

3-(4-methylsulfonylphenoxy)-5-(oxolan-3-yloxy)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 10344232) has the molecular formula C21H20N2O6S2 and a molecular weight of 460.53 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenoxy)-5-(oxolan-3-yloxy)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(4-methylsulfonylphenoxy)-5-(oxolan-3-yloxy)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID10344232
Molecular FormulaC21H20N2O6S2
Molecular Weight460.53 g/mol
Exact Mass460.08
IUPAC Name3-(4-methylsulfonylphenoxy)-5-(oxolan-3-yloxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCS(=O)(=O)c1ccc(Oc2cc(OC3CCOC3)cc(C(=O)Nc3nccs3)c2)cc1
InChIInChI=1S/C21H20N2O6S2/c1-31(25,26)19-4-2-15(3-5-19)28-17-10-14(20(24)23-21-22-7-9-30-21)11-18(12-17)29-16-6-8-27-13-16/h2-5,7,9-12,16H,6,8,13H2,1H3,(H,22,23,24)
InChIKeyUQHVRVYGEAIGAH-UHFFFAOYSA-N
XLogP3.76
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,4,5-Trimethoxy-N-(1,3-thiazol-2-YL)benzamide
CID 606801
Glucokinase activator 3
CID 23649243
3-Isopropoxy-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide
CID 11154711
3-[(1S)-2-hydroxy-1-methylethoxy]-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide
CID 11662332
3-ethoxy-N-(2-thiazolyl)benzamide
CID 792393
3-isopropoxy-5-(4-(methylsulfonyl)phenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 9868203
(+/-)-3-(3-Hydroxy-1-methylpropoxy)-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide
CID 10004541
(+/-)-3-(3-Hydroxy-2-methylpropyl)-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide
CID 10095113
3-(2-Hydroxyethoxy)-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide
CID 10252364
3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(2-thiazolyl)benzamide
CID 10366412
3-[2-Methoxy-1-(methoxymethyl)ethoxy]-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide
CID 10458369
(+/-)-3-(2-Amino-1-methylethoxy)-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide
CID 23092965

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenoxy)-5-(oxolan-3-yloxy)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(4-methylsulfonylphenoxy)-5-(oxolan-3-yloxy)-N-(1,3-thiazol-2-yl)benzamide (CID 10344232) is 3-(4-methylsulfonylphenoxy)-5-(oxolan-3-yloxy)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(4-methylsulfonylphenoxy)-5-(oxolan-3-yloxy)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(4-methylsulfonylphenoxy)-5-(oxolan-3-yloxy)-N-(1,3-thiazol-2-yl)benzamide is CS(=O)(=O)c1ccc(Oc2cc(OC3CCOC3)cc(C(=O)Nc3nccs3)c2)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenoxy)-5-(oxolan-3-yloxy)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is UQHVRVYGEAIGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6S2/c1-31(25,26)19-4-2-15(3-5-19)28-17-10-14(20(24)23-21-22-7-9-30-21)11-18(12-17)29-16-6-8-27-13-16/h2-5,7,9-12,16H,6,8,13H2,1H3,(H,22,23,24).
What are the key properties of 3-(4-methylsulfonylphenoxy)-5-(oxolan-3-yloxy)-N-(1,3-thiazol-2-yl)benzamide?
3-(4-methylsulfonylphenoxy)-5-(oxolan-3-yloxy)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 460.53 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenoxy)-5-(oxolan-3-yloxy)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 10344232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).