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

C19H20N2O4S — CID 986558

IUPAC5-ethyl-3-methyl-N-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c(C)c2c1
InChIInChI=1S/C19H20N2O4S/c1-3-13-6-9-17-16(10-13)12(2)18(25-17)19(22)21-11-14-4-7-15(8-5-14)26(20,23)24/h4-10H,3,11H2,1-2H3,(H,21,22)(H2,20,23,24)
InChIKeyCVLCCGDWTYZMMM-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.88
Rot. Bonds5

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

5-ethyl-3-methyl-N-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 986558) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 5-ethyl-3-methyl-N-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-3-methyl-N-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID986558
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name5-ethyl-3-methyl-N-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c(C)c2c1
InChIInChI=1S/C19H20N2O4S/c1-3-13-6-9-17-16(10-13)12(2)18(25-17)19(22)21-11-14-4-7-15(8-5-14)26(20,23)24/h4-10H,3,11H2,1-2H3,(H,21,22)(H2,20,23,24)
InChIKeyCVLCCGDWTYZMMM-UHFFFAOYSA-N
XLogP2.88
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.88
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)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethyl-3-methyl-N-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide (CID 986558) is 5-ethyl-3-methyl-N-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethyl-3-methyl-N-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethyl-3-methyl-N-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide is CCc1ccc2oc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c(C)c2c1.
What is the InChIKey of 5-ethyl-3-methyl-N-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is CVLCCGDWTYZMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-3-13-6-9-17-16(10-13)12(2)18(25-17)19(22)21-11-14-4-7-15(8-5-14)26(20,23)24/h4-10H,3,11H2,1-2H3,(H,21,22)(H2,20,23,24).
What are the key properties of 5-ethyl-3-methyl-N-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide?
5-ethyl-3-methyl-N-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.88, 5 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)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 986558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).