2-(methoxymethyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide

C22H20N2O7S — CID 66755992

IUPAC2-(methoxymethyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
SMILESCOCc1cc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(C(=O)Nc3cc(C)on3)cc2o1
InChIInChI=1S/C22H20N2O7S/c1-13-8-21(24-31-13)23-22(25)14-9-19(18-11-16(12-28-2)30-20(18)10-14)29-15-4-6-17(7-5-15)32(3,26)27/h4-11H,12H2,1-3H3,(H,23,24,25)
InChIKeyLWTLUJXSRQJSGD-UHFFFAOYSA-N
MW456.48 g/mol
LogP4.32
Rot. Bonds7

About 2-(methoxymethyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide

2-(methoxymethyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide (PubChem CID 66755992) has the molecular formula C22H20N2O7S and a molecular weight of 456.48 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
PubChem CID66755992
Molecular FormulaC22H20N2O7S
Molecular Weight456.48 g/mol
Exact Mass456.10
IUPAC Name2-(methoxymethyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
SMILESCOCc1cc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(C(=O)Nc3cc(C)on3)cc2o1
InChIInChI=1S/C22H20N2O7S/c1-13-8-21(24-31-13)23-22(25)14-9-19(18-11-16(12-28-2)30-20(18)10-14)29-15-4-6-17(7-5-15)32(3,26)27/h4-11H,12H2,1-3H3,(H,23,24,25)
InChIKeyLWTLUJXSRQJSGD-UHFFFAOYSA-N
XLogP4.32
TPSA120.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide?
The IUPAC name of 2-(methoxymethyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide (CID 66755992) is 2-(methoxymethyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide is COCc1cc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(C(=O)Nc3cc(C)on3)cc2o1.
What is the InChIKey of 2-(methoxymethyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide?
The InChIKey is LWTLUJXSRQJSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O7S/c1-13-8-21(24-31-13)23-22(25)14-9-19(18-11-16(12-28-2)30-20(18)10-14)29-15-4-6-17(7-5-15)32(3,26)27/h4-11H,12H2,1-3H3,(H,23,24,25).
What are the key properties of 2-(methoxymethyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide?
2-(methoxymethyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide has a molecular weight of 456.48 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide is sourced from PubChem (CID 66755992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).