2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide

C22H19N3O5S — CID 90665737

IUPAC2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)c3cc(C)oc3c2)cn1
InChIInChI=1S/C22H19N3O5S/c1-13-11-24-21(12-23-13)25-22(26)15-9-19-18(8-14(2)29-19)20(10-15)30-16-4-6-17(7-5-16)31(3,27)28/h4-12H,1-3H3,(H,24,25,26)
InChIKeyXABGQMMZVDSFFZ-UHFFFAOYSA-N
MW437.48 g/mol
LogP4.29
Rot. Bonds5

About 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide

2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide (PubChem CID 90665737) has the molecular formula C22H19N3O5S and a molecular weight of 437.48 g/mol. Its IUPAC name is 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
PubChem CID90665737
Molecular FormulaC22H19N3O5S
Molecular Weight437.48 g/mol
Exact Mass437.10
IUPAC Name2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)c3cc(C)oc3c2)cn1
InChIInChI=1S/C22H19N3O5S/c1-13-11-24-21(12-23-13)25-22(26)15-9-19-18(8-14(2)29-19)20(10-15)30-16-4-6-17(7-5-16)31(3,27)28/h4-12H,1-3H3,(H,24,25,26)
InChIKeyXABGQMMZVDSFFZ-UHFFFAOYSA-N
XLogP4.29
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide?
The IUPAC name of 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide (CID 90665737) is 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide is Cc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)c3cc(C)oc3c2)cn1.
What is the InChIKey of 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide?
The InChIKey is XABGQMMZVDSFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5S/c1-13-11-24-21(12-23-13)25-22(26)15-9-19-18(8-14(2)29-19)20(10-15)30-16-4-6-17(7-5-16)31(3,27)28/h4-12H,1-3H3,(H,24,25,26).
What are the key properties of 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide?
2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide is sourced from PubChem (CID 90665737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).