4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide

C24H22N4O4 — CID 90665739

IUPAC4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(C(=O)N(C)C)cc3)c3cc(C)oc3c2)cn1
InChIInChI=1S/C24H22N4O4/c1-14-12-26-22(13-25-14)27-23(29)17-10-20-19(9-15(2)31-20)21(11-17)32-18-7-5-16(6-8-18)24(30)28(3)4/h5-13H,1-4H3,(H,26,27,29)
InChIKeyNYIISPFIDBWYIS-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.59
Rot. Bonds5

About 4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide

4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide (PubChem CID 90665739) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide
PubChem CID90665739
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(C(=O)N(C)C)cc3)c3cc(C)oc3c2)cn1
InChIInChI=1S/C24H22N4O4/c1-14-12-26-22(13-25-14)27-23(29)17-10-20-19(9-15(2)31-20)21(11-17)32-18-7-5-16(6-8-18)24(30)28(3)4/h5-13H,1-4H3,(H,26,27,29)
InChIKeyNYIISPFIDBWYIS-UHFFFAOYSA-N
XLogP4.59
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide?
The IUPAC name of 4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide (CID 90665739) is 4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide.
What is the SMILES notation for 4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide?
The canonical SMILES for 4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide is Cc1cnc(NC(=O)c2cc(Oc3ccc(C(=O)N(C)C)cc3)c3cc(C)oc3c2)cn1.
What is the InChIKey of 4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide?
The InChIKey is NYIISPFIDBWYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-14-12-26-22(13-25-14)27-23(29)17-10-20-19(9-15(2)31-20)21(11-17)32-18-7-5-16(6-8-18)24(30)28(3)4/h5-13H,1-4H3,(H,26,27,29).
What are the key properties of 4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide?
4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide is sourced from PubChem (CID 90665739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).