3-ethyl-1-benzofuran-2-carboxamide;naphthalene-2-sulfonic acid

C21H19NO5S — CID 174866164

IUPAC3-ethyl-1-benzofuran-2-carboxamide;naphthalene-2-sulfonic acid
SMILESCCc1c(C(N)=O)oc2ccccc12.O=S(=O)(O)c1ccc2ccccc2c1
InChIInChI=1S/C11H11NO2.C10H8O3S/c1-2-7-8-5-3-4-6-9(8)14-10(7)11(12)13;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h3-6H,2H2,1H3,(H2,12,13);1-7H,(H,11,12,13)
InChIKeyOVONVQPSYBEWTG-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.18
Rot. Bonds3

About 3-ethyl-1-benzofuran-2-carboxamide;naphthalene-2-sulfonic acid

3-ethyl-1-benzofuran-2-carboxamide;naphthalene-2-sulfonic acid (PubChem CID 174866164) has the molecular formula C21H19NO5S and a molecular weight of 397.45 g/mol. Its IUPAC name is 3-ethyl-1-benzofuran-2-carboxamide;naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name3-ethyl-1-benzofuran-2-carboxamide;naphthalene-2-sulfonic acid
PubChem CID174866164
Molecular FormulaC21H19NO5S
Molecular Weight397.45 g/mol
Exact Mass397.10
IUPAC Name3-ethyl-1-benzofuran-2-carboxamide;naphthalene-2-sulfonic acid
SMILESCCc1c(C(N)=O)oc2ccccc12.O=S(=O)(O)c1ccc2ccccc2c1
InChIInChI=1S/C11H11NO2.C10H8O3S/c1-2-7-8-5-3-4-6-9(8)14-10(7)11(12)13;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h3-6H,2H2,1H3,(H2,12,13);1-7H,(H,11,12,13)
InChIKeyOVONVQPSYBEWTG-UHFFFAOYSA-N
XLogP4.18
TPSA110.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 3-ethyl-1-benzofuran-2-carboxamide;naphthalene-2-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-4-oxochromene-2-carboxamide
CID 151195222
naphthalene-2-sulfonic acid
CID 8420
3-(aminomethyl)-1-benzofuran-2-carboxamide
CID 47003249
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 87246277
CID 87246277
CID 88530425
CID 88530425
Dispersing Agent NNO
CID 156594502
tetracene-2-sulfonic acid
CID 21483873
[1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea
CID 73010672
(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
CID 12573980
ethyl 3-methyl-5-(naphthalen-2-ylsulfamoyl)-1-benzofuran-2-carboxylate
CID 169244642

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-benzofuran-2-carboxamide;naphthalene-2-sulfonic acid?
The IUPAC name of 3-ethyl-1-benzofuran-2-carboxamide;naphthalene-2-sulfonic acid (CID 174866164) is 3-ethyl-1-benzofuran-2-carboxamide;naphthalene-2-sulfonic acid.
What is the SMILES notation for 3-ethyl-1-benzofuran-2-carboxamide;naphthalene-2-sulfonic acid?
The canonical SMILES for 3-ethyl-1-benzofuran-2-carboxamide;naphthalene-2-sulfonic acid is CCc1c(C(N)=O)oc2ccccc12.O=S(=O)(O)c1ccc2ccccc2c1.
What is the InChIKey of 3-ethyl-1-benzofuran-2-carboxamide;naphthalene-2-sulfonic acid?
The InChIKey is OVONVQPSYBEWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.C10H8O3S/c1-2-7-8-5-3-4-6-9(8)14-10(7)11(12)13;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h3-6H,2H2,1H3,(H2,12,13);1-7H,(H,11,12,13).
What are the key properties of 3-ethyl-1-benzofuran-2-carboxamide;naphthalene-2-sulfonic acid?
3-ethyl-1-benzofuran-2-carboxamide;naphthalene-2-sulfonic acid has a molecular weight of 397.45 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-benzofuran-2-carboxamide;naphthalene-2-sulfonic acid is sourced from PubChem (CID 174866164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).