2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide

C22H20N2O6S — CID 158889038

IUPAC2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide
SMILESCCc1cc2c(Oc3ccc(C)cc3)cc(C(=O)Nc3cc(C)on3)cc2o1.O=S=O
InChIInChI=1S/C22H20N2O4.O2S/c1-4-16-12-18-19(26-16)10-15(22(25)23-21-9-14(3)28-24-21)11-20(18)27-17-7-5-13(2)6-8-17;1-3-2/h5-12H,4H2,1-3H3,(H,23,24,25);
InChIKeyJDZLUWUGTNOFBB-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.97
Rot. Bonds5

About 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide

2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide (PubChem CID 158889038) has the molecular formula C22H20N2O6S and a molecular weight of 440.48 g/mol. Its IUPAC name is 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide.

Molecular Properties

Compound Name2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide
PubChem CID158889038
Molecular FormulaC22H20N2O6S
Molecular Weight440.48 g/mol
Exact Mass440.10
IUPAC Name2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide
SMILESCCc1cc2c(Oc3ccc(C)cc3)cc(C(=O)Nc3cc(C)on3)cc2o1.O=S=O
InChIInChI=1S/C22H20N2O4.O2S/c1-4-16-12-18-19(26-16)10-15(22(25)23-21-9-14(3)28-24-21)11-20(18)27-17-7-5-13(2)6-8-17;1-3-2/h5-12H,4H2,1-3H3,(H,23,24,25);
InChIKeyJDZLUWUGTNOFBB-UHFFFAOYSA-N
XLogP4.97
TPSA111.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-N-(5-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 59559979
2-(methoxymethyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 66755992
N-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide
CID 58146262
N-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide
CID 162197358
2-N,2-N-dimethyl-4-(4-methylphenoxy)-6-N-(2-methyltriazol-4-yl)-1-benzofuran-2,6-dicarboxamide;sulfur dioxide
CID 158269151
N-[6-(1-hydroxyethyl)-2-pyridinyl]-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide
CID 58146220
2-[(2-methylimidazol-1-yl)methyl]-4-(4-methylperoxysulfanylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide
CID 59559845
3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 39963862
2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 90665737
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2695574
1-N-(4-ethoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057672
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide?
The IUPAC name of 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide (CID 158889038) is 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide.
What is the SMILES notation for 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide?
The canonical SMILES for 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide is CCc1cc2c(Oc3ccc(C)cc3)cc(C(=O)Nc3cc(C)on3)cc2o1.O=S=O.
What is the InChIKey of 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide?
The InChIKey is JDZLUWUGTNOFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4.O2S/c1-4-16-12-18-19(26-16)10-15(22(25)23-21-9-14(3)28-24-21)11-20(18)27-17-7-5-13(2)6-8-17;1-3-2/h5-12H,4H2,1-3H3,(H,23,24,25);.
What are the key properties of 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide?
2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide has a molecular weight of 440.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide is sourced from PubChem (CID 158889038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).