5-ethyl-3-methyl-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide

C18H18N2O4S — CID 986582

IUPAC5-ethyl-3-methyl-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C)c2c1
InChIInChI=1S/C18H18N2O4S/c1-3-12-4-9-16-15(10-12)11(2)17(24-16)18(21)20-13-5-7-14(8-6-13)25(19,22)23/h4-10H,3H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyIDHKRIPBZATFSO-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.20
Rot. Bonds4

About 5-ethyl-3-methyl-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide

5-ethyl-3-methyl-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 986582) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-ethyl-3-methyl-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-3-methyl-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
PubChem CID986582
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name5-ethyl-3-methyl-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C)c2c1
InChIInChI=1S/C18H18N2O4S/c1-3-12-4-9-16-15(10-12)11(2)17(24-16)18(21)20-13-5-7-14(8-6-13)25(19,22)23/h4-10H,3H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyIDHKRIPBZATFSO-UHFFFAOYSA-N
XLogP3.20
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethyl-3-methyl-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide (CID 986582) is 5-ethyl-3-methyl-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethyl-3-methyl-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethyl-3-methyl-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide is CCc1ccc2oc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C)c2c1.
What is the InChIKey of 5-ethyl-3-methyl-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is IDHKRIPBZATFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-3-12-4-9-16-15(10-12)11(2)17(24-16)18(21)20-13-5-7-14(8-6-13)25(19,22)23/h4-10H,3H2,1-2H3,(H,20,21)(H2,19,22,23).
What are the key properties of 5-ethyl-3-methyl-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide?
5-ethyl-3-methyl-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 986582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).