2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide

C23H20N2O5S — CID 157263368

IUPAC2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide
SMILESCc1ccc(Oc2cc(C(=O)Nc3ccc(C)cn3)cc3oc(C)cc23)cc1.O=S=O
InChIInChI=1S/C23H20N2O3.O2S/c1-14-4-7-18(8-5-14)28-21-12-17(11-20-19(21)10-16(3)27-20)23(26)25-22-9-6-15(2)13-24-22;1-3-2/h4-13H,1-3H3,(H,24,25,26);
InChIKeyAXSKOZMVPGLEIA-UHFFFAOYSA-N
MW436.49 g/mol
LogP5.13
Rot. Bonds4

About 2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide

2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide (PubChem CID 157263368) has the molecular formula C23H20N2O5S and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide.

Molecular Properties

Compound Name2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide
PubChem CID157263368
Molecular FormulaC23H20N2O5S
Molecular Weight436.49 g/mol
Exact Mass436.11
IUPAC Name2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide
SMILESCc1ccc(Oc2cc(C(=O)Nc3ccc(C)cn3)cc3oc(C)cc23)cc1.O=S=O
InChIInChI=1S/C23H20N2O3.O2S/c1-14-4-7-18(8-5-14)28-21-12-17(11-20-19(21)10-16(3)27-20)23(26)25-22-9-6-15(2)13-24-22;1-3-2/h4-13H,1-3H3,(H,24,25,26);
InChIKeyAXSKOZMVPGLEIA-UHFFFAOYSA-N
XLogP5.13
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide
CID 162197358
N-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide
CID 58146262
2-ethyl-N-(5-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 59559979
2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide
CID 158889038
N-[6-(1-hydroxyethyl)-2-pyridinyl]-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide
CID 58146220
2-N,2-N-dimethyl-4-(4-methylphenoxy)-6-N-(2-methyltriazol-4-yl)-1-benzofuran-2,6-dicarboxamide;sulfur dioxide
CID 158269151
2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 90665737
4-[4-(azetidin-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-pyridinyl)-2-methyl-1-benzofuran-6-carboxamide
CID 59560085
2-methyl-7-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-3-oxo-1H-isoindole-5-carboxamide
CID 58146158
2-[(2-methylimidazol-1-yl)methyl]-4-(4-methylperoxysulfanylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide
CID 59559845
2-methyl-7-(4-methylperoxysulfanylphenoxy)-N-(5-methyl-2-pyridinyl)-1,3-benzoxazole-5-carboxamide
CID 59560206
2-ethyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxylic acid;sulfur dioxide
CID 162056840

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide?
The IUPAC name of 2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide (CID 157263368) is 2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide.
What is the SMILES notation for 2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide?
The canonical SMILES for 2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide is Cc1ccc(Oc2cc(C(=O)Nc3ccc(C)cn3)cc3oc(C)cc23)cc1.O=S=O.
What is the InChIKey of 2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide?
The InChIKey is AXSKOZMVPGLEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3.O2S/c1-14-4-7-18(8-5-14)28-21-12-17(11-20-19(21)10-16(3)27-20)23(26)25-22-9-6-15(2)13-24-22;1-3-2/h4-13H,1-3H3,(H,24,25,26);.
What are the key properties of 2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide?
2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide has a molecular weight of 436.49 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide is sourced from PubChem (CID 157263368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).