N-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide

C24H22N2O3 — CID 58146262

IUPACN-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(Oc3ccc(C)cc3)c3cc(C)oc3c2)nc1
InChIInChI=1S/C24H22N2O3/c1-4-17-7-10-23(25-14-17)26-24(27)18-12-21-20(11-16(3)28-21)22(13-18)29-19-8-5-15(2)6-9-19/h5-14H,4H2,1-3H3,(H,25,26,27)
InChIKeyYOQGYPLNAZSDTK-UHFFFAOYSA-N
MW386.45 g/mol
LogP6.05
Rot. Bonds5

About N-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide

N-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide (PubChem CID 58146262) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide
PubChem CID58146262
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(Oc3ccc(C)cc3)c3cc(C)oc3c2)nc1
InChIInChI=1S/C24H22N2O3/c1-4-17-7-10-23(25-14-17)26-24(27)18-12-21-20(11-16(3)28-21)22(13-18)29-19-8-5-15(2)6-9-19/h5-14H,4H2,1-3H3,(H,25,26,27)
InChIKeyYOQGYPLNAZSDTK-UHFFFAOYSA-N
XLogP6.05
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide
CID 157263368
N-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide
CID 162197358
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-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-N,2-N-dimethyl-4-(4-methylphenoxy)-6-N-(2-methyltriazol-4-yl)-1-benzofuran-2,6-dicarboxamide;sulfur dioxide
CID 158269151
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-ethyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxylic acid;sulfur dioxide
CID 162056840
6-N-(5-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-4-(4-methylsulfonylphenoxy)-1-benzofuran-2,6-dicarboxamide
CID 66755886

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide?
The IUPAC name of N-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide (CID 58146262) is N-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide.
What is the SMILES notation for N-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide?
The canonical SMILES for N-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide is CCc1ccc(NC(=O)c2cc(Oc3ccc(C)cc3)c3cc(C)oc3c2)nc1.
What is the InChIKey of N-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide?
The InChIKey is YOQGYPLNAZSDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-4-17-7-10-23(25-14-17)26-24(27)18-12-21-20(11-16(3)28-21)22(13-18)29-19-8-5-15(2)6-9-19/h5-14H,4H2,1-3H3,(H,25,26,27).
What are the key properties of N-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide?
N-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide is sourced from PubChem (CID 58146262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).