3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide

C11H15FN2O4S — CID 55091208

IUPAC3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide
SMILESCCOCCC(=O)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H15FN2O4S/c1-2-18-6-5-11(15)14-10-4-3-8(7-9(10)12)19(13,16)17/h3-4,7H,2,5-6H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyVLVUHVNXOSOCRJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.84
Rot. Bonds6

About 3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide

3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide (PubChem CID 55091208) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide
PubChem CID55091208
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC Name3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide
SMILESCCOCCC(=O)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H15FN2O4S/c1-2-18-6-5-11(15)14-10-4-3-8(7-9(10)12)19(13,16)17/h3-4,7H,2,5-6H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyVLVUHVNXOSOCRJ-UHFFFAOYSA-N
XLogP0.84
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-4-sulfamoylphenyl)octanamide
CID 43246665
4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide
CID 60965986
N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide
CID 62588775
N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246651
1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea
CID 79162190
N-(2-bromo-4-sulfamoylphenyl)-2-ethoxyacetamide
CID 43134112
N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide
CID 63821086
3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60703250
tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate
CID 10808548
4-(2-ethoxyethoxy)-3-fluorobenzenesulfonamide
CID 43457341
3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide
CID 64780505
N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide
CID 61129999

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide (CID 55091208) is 3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide is CCOCCC(=O)Nc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide?
The InChIKey is VLVUHVNXOSOCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c1-2-18-6-5-11(15)14-10-4-3-8(7-9(10)12)19(13,16)17/h3-4,7H,2,5-6H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide?
3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide has a molecular weight of 290.32 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 55091208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).