6-N-(5-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-4-(4-methylsulfonylphenoxy)-1-benzofuran-2,6-dicarboxamide

C24H22N4O7S — CID 66755886

IUPAC6-N-(5-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-4-(4-methylsulfonylphenoxy)-1-benzofuran-2,6-dicarboxamide
SMILESCOc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)c3cc(C(=O)N(C)C)oc3c2)cn1
InChIInChI=1S/C24H22N4O7S/c1-28(2)24(30)20-11-17-18(34-15-5-7-16(8-6-15)36(4,31)32)9-14(10-19(17)35-20)23(29)27-21-12-26-22(33-3)13-25-21/h5-13H,1-4H3,(H,25,27,29)
InChIKeyULDOQKHAGSLWJL-UHFFFAOYSA-N
MW510.53 g/mol
LogP3.38
Rot. Bonds7

About 6-N-(5-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-4-(4-methylsulfonylphenoxy)-1-benzofuran-2,6-dicarboxamide

6-N-(5-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-4-(4-methylsulfonylphenoxy)-1-benzofuran-2,6-dicarboxamide (PubChem CID 66755886) has the molecular formula C24H22N4O7S and a molecular weight of 510.53 g/mol. Its IUPAC name is 6-N-(5-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-4-(4-methylsulfonylphenoxy)-1-benzofuran-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(5-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-4-(4-methylsulfonylphenoxy)-1-benzofuran-2,6-dicarboxamide
PubChem CID66755886
Molecular FormulaC24H22N4O7S
Molecular Weight510.53 g/mol
Exact Mass510.12
IUPAC Name6-N-(5-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-4-(4-methylsulfonylphenoxy)-1-benzofuran-2,6-dicarboxamide
SMILESCOc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)c3cc(C(=O)N(C)C)oc3c2)cn1
InChIInChI=1S/C24H22N4O7S/c1-28(2)24(30)20-11-17-18(34-15-5-7-16(8-6-15)36(4,31)32)9-14(10-19(17)35-20)23(29)27-21-12-26-22(33-3)13-25-21/h5-13H,1-4H3,(H,25,27,29)
InChIKeyULDOQKHAGSLWJL-UHFFFAOYSA-N
XLogP3.38
TPSA140.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-N-(5-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-4-(4-methylsulfonylphenoxy)-1-benzofuran-2,6-dicarboxamide?
The IUPAC name of 6-N-(5-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-4-(4-methylsulfonylphenoxy)-1-benzofuran-2,6-dicarboxamide (CID 66755886) is 6-N-(5-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-4-(4-methylsulfonylphenoxy)-1-benzofuran-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(5-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-4-(4-methylsulfonylphenoxy)-1-benzofuran-2,6-dicarboxamide?
The canonical SMILES for 6-N-(5-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-4-(4-methylsulfonylphenoxy)-1-benzofuran-2,6-dicarboxamide is COc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)c3cc(C(=O)N(C)C)oc3c2)cn1.
What is the InChIKey of 6-N-(5-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-4-(4-methylsulfonylphenoxy)-1-benzofuran-2,6-dicarboxamide?
The InChIKey is ULDOQKHAGSLWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O7S/c1-28(2)24(30)20-11-17-18(34-15-5-7-16(8-6-15)36(4,31)32)9-14(10-19(17)35-20)23(29)27-21-12-26-22(33-3)13-25-21/h5-13H,1-4H3,(H,25,27,29).
What are the key properties of 6-N-(5-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-4-(4-methylsulfonylphenoxy)-1-benzofuran-2,6-dicarboxamide?
6-N-(5-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-4-(4-methylsulfonylphenoxy)-1-benzofuran-2,6-dicarboxamide has a molecular weight of 510.53 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-4-(4-methylsulfonylphenoxy)-1-benzofuran-2,6-dicarboxamide is sourced from PubChem (CID 66755886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).