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

C20H20N2O6S2 — CID 10366412

IUPAC3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(CO)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C20H20N2O6S2/c1-13(12-23)27-16-9-14(19(24)22-20-21-7-8-29-20)10-17(11-16)28-15-3-5-18(6-4-15)30(2,25)26/h3-11,13,23H,12H2,1-2H3,(H,21,22,24)
InChIKeyWXZJALPRVRLDDJ-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.35
Rot. Bonds8

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

3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 10366412) has the molecular formula C20H20N2O6S2 and a molecular weight of 448.52 g/mol. Its IUPAC name is 3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID10366412
Molecular FormulaC20H20N2O6S2
Molecular Weight448.52 g/mol
Exact Mass448.08
IUPAC Name3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(CO)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C20H20N2O6S2/c1-13(12-23)27-16-9-14(19(24)22-20-21-7-8-29-20)10-17(11-16)28-15-3-5-18(6-4-15)30(2,25)26/h3-11,13,23H,12H2,1-2H3,(H,21,22,24)
InChIKeyWXZJALPRVRLDDJ-UHFFFAOYSA-N
XLogP3.35
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-(4-methylsulfonylphenoxy)-5-(oxolan-3-yloxy)-N-(1,3-thiazol-2-yl)benzamide
CID 10344232
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
3-(Cyclopentyloxy)-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide
CID 23093036

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide (CID 10366412) is 3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide is CC(CO)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nccs2)c1.
What is the InChIKey of 3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is WXZJALPRVRLDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S2/c1-13(12-23)27-16-9-14(19(24)22-20-21-7-8-29-20)10-17(11-16)28-15-3-5-18(6-4-15)30(2,25)26/h3-11,13,23H,12H2,1-2H3,(H,21,22,24).
What are the key properties of 3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 448.52 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 10366412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).