4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide

C17H19FN2O4S — CID 171130212

IUPAC4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCCOc2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O4S/c18-15-4-1-2-5-16(15)24-11-3-6-17(21)20-12-13-7-9-14(10-8-13)25(19,22)23/h1-2,4-5,7-10H,3,6,11-12H2,(H,20,21)(H2,19,22,23)
InChIKeyNJBLHYQKAWYGDG-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.95
Rot. Bonds8

About 4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide

4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide (PubChem CID 171130212) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide
PubChem CID171130212
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCCOc2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O4S/c18-15-4-1-2-5-16(15)24-11-3-6-17(21)20-12-13-7-9-14(10-8-13)25(19,22)23/h1-2,4-5,7-10H,3,6,11-12H2,(H,20,21)(H2,19,22,23)
InChIKeyNJBLHYQKAWYGDG-UHFFFAOYSA-N
XLogP1.95
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.95
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-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide
CID 60549854
4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 84555813
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884
5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 118398571
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide
CID 60550880
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
2-[4-(2-fluorophenoxy)butanoylamino]acetic acid
CID 110466152
N-(4-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)butanamide
CID 60552057
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
1-[3-(2-methylphenoxy)propyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 108883825

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide (CID 171130212) is 4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide is NS(=O)(=O)c1ccc(CNC(=O)CCCOc2ccccc2F)cc1.
What is the InChIKey of 4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide?
The InChIKey is NJBLHYQKAWYGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c18-15-4-1-2-5-16(15)24-11-3-6-17(21)20-12-13-7-9-14(10-8-13)25(19,22)23/h1-2,4-5,7-10H,3,6,11-12H2,(H,20,21)(H2,19,22,23).
What are the key properties of 4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide?
4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide has a molecular weight of 366.41 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide is sourced from PubChem (CID 171130212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).