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

C22H17FN2O5S — CID 162197358

IUPACN-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide
SMILESCc1ccc(Oc2cc(C(=O)Nc3ccc(F)cn3)cc3oc(C)cc23)cc1.O=S=O
InChIInChI=1S/C22H17FN2O3.O2S/c1-13-3-6-17(7-4-13)28-20-11-15(10-19-18(20)9-14(2)27-19)22(26)25-21-8-5-16(23)12-24-21;1-3-2/h3-12H,1-2H3,(H,24,25,26);
InChIKeyZRCUSGCWKNHXFH-UHFFFAOYSA-N
MW440.45 g/mol
LogP4.96
Rot. Bonds4

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

N-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide (PubChem CID 162197358) has the molecular formula C22H17FN2O5S and a molecular weight of 440.45 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide
PubChem CID162197358
Molecular FormulaC22H17FN2O5S
Molecular Weight440.45 g/mol
Exact Mass440.08
IUPAC NameN-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide
SMILESCc1ccc(Oc2cc(C(=O)Nc3ccc(F)cn3)cc3oc(C)cc23)cc1.O=S=O
InChIInChI=1S/C22H17FN2O3.O2S/c1-13-3-6-17(7-4-13)28-20-11-15(10-19-18(20)9-14(2)27-19)22(26)25-21-8-5-16(23)12-24-21;1-3-2/h3-12H,1-2H3,(H,24,25,26);
InChIKeyZRCUSGCWKNHXFH-UHFFFAOYSA-N
XLogP4.96
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide
CID 58146262
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
2-ethyl-N-(5-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 59559979
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
N-(5-fluoro-2-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 65482281
2-ethyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxylic acid;sulfur dioxide
CID 162056840

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide (CID 162197358) is N-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide is Cc1ccc(Oc2cc(C(=O)Nc3ccc(F)cn3)cc3oc(C)cc23)cc1.O=S=O.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide?
The InChIKey is ZRCUSGCWKNHXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3.O2S/c1-13-3-6-17(7-4-13)28-20-11-15(10-19-18(20)9-14(2)27-19)22(26)25-21-8-5-16(23)12-24-21;1-3-2/h3-12H,1-2H3,(H,24,25,26);.
What are the key properties of N-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide?
N-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide has a molecular weight of 440.45 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide is sourced from PubChem (CID 162197358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).