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

C20H20N2O5S2 — CID 11154711

IUPAC3-(4-methylsulfonylphenoxy)-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C20H20N2O5S2/c1-13(2)26-16-10-14(19(23)22-20-21-8-9-28-20)11-17(12-16)27-15-4-6-18(7-5-15)29(3,24)25/h4-13H,1-3H3,(H,21,22,23)
InChIKeyIBDWQXAELRUGCY-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.38
Rot. Bonds7

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

3-(4-methylsulfonylphenoxy)-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 11154711) has the molecular formula C20H20N2O5S2 and a molecular weight of 432.52 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenoxy)-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(4-methylsulfonylphenoxy)-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID11154711
Molecular FormulaC20H20N2O5S2
Molecular Weight432.52 g/mol
Exact Mass432.08
IUPAC Name3-(4-methylsulfonylphenoxy)-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C20H20N2O5S2/c1-13(2)26-16-10-14(19(23)22-20-21-8-9-28-20)11-17(12-16)27-15-4-6-18(7-5-15)29(3,24)25/h4-13H,1-3H3,(H,21,22,23)
InChIKeyIBDWQXAELRUGCY-UHFFFAOYSA-N
XLogP4.38
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenoxy)-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(4-methylsulfonylphenoxy)-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide (CID 11154711) is 3-(4-methylsulfonylphenoxy)-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(4-methylsulfonylphenoxy)-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(4-methylsulfonylphenoxy)-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide is CC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nccs2)c1.
What is the InChIKey of 3-(4-methylsulfonylphenoxy)-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is IBDWQXAELRUGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S2/c1-13(2)26-16-10-14(19(23)22-20-21-8-9-28-20)11-17(12-16)27-15-4-6-18(7-5-15)29(3,24)25/h4-13H,1-3H3,(H,21,22,23).
What are the key properties of 3-(4-methylsulfonylphenoxy)-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide?
3-(4-methylsulfonylphenoxy)-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 432.52 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenoxy)-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 11154711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).