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

C19H18N2O6S2 — CID 10252364

IUPAC3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCS(=O)(=O)c1ccc(Oc2cc(OCCO)cc(C(=O)Nc3nccs3)c2)cc1
InChIInChI=1S/C19H18N2O6S2/c1-29(24,25)17-4-2-14(3-5-17)27-16-11-13(10-15(12-16)26-8-7-22)18(23)21-19-20-6-9-28-19/h2-6,9-12,22H,7-8H2,1H3,(H,20,21,23)
InChIKeyBBEMQDVKHJMPAU-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.96
Rot. Bonds8

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

3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 10252364) has the molecular formula C19H18N2O6S2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID10252364
Molecular FormulaC19H18N2O6S2
Molecular Weight434.50 g/mol
Exact Mass434.06
IUPAC Name3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCS(=O)(=O)c1ccc(Oc2cc(OCCO)cc(C(=O)Nc3nccs3)c2)cc1
InChIInChI=1S/C19H18N2O6S2/c1-29(24,25)17-4-2-14(3-5-17)27-16-11-13(10-15(12-16)26-8-7-22)18(23)21-19-20-6-9-28-19/h2-6,9-12,22H,7-8H2,1H3,(H,20,21,23)
InChIKeyBBEMQDVKHJMPAU-UHFFFAOYSA-N
XLogP2.96
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.96
H-Bond Donors ≤ 52
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-(4-methylsulfonylphenoxy)-5-(oxolan-3-yloxy)-N-(1,3-thiazol-2-yl)benzamide
CID 10344232
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-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide (CID 10252364) is 3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide is CS(=O)(=O)c1ccc(Oc2cc(OCCO)cc(C(=O)Nc3nccs3)c2)cc1.
What is the InChIKey of 3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is BBEMQDVKHJMPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6S2/c1-29(24,25)17-4-2-14(3-5-17)27-16-11-13(10-15(12-16)26-8-7-22)18(23)21-19-20-6-9-28-19/h2-6,9-12,22H,7-8H2,1H3,(H,20,21,23).
What are the key properties of 3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 434.50 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 10252364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).