2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide

C18H20F2N2O4S — CID 28554069

IUPAC2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide
SMILESCCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C18H20F2N2O4S/c1-2-3-10-21-27(24,25)15-7-5-14(6-8-15)26-12-18(23)22-17-11-13(19)4-9-16(17)20/h4-9,11,21H,2-3,10,12H2,1H3,(H,22,23)
InChIKeyJAZBNJMXNYVIHA-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.06
Rot. Bonds9

About 2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide

2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide (PubChem CID 28554069) has the molecular formula C18H20F2N2O4S and a molecular weight of 398.43 g/mol. Its IUPAC name is 2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide
PubChem CID28554069
Molecular FormulaC18H20F2N2O4S
Molecular Weight398.43 g/mol
Exact Mass398.11
IUPAC Name2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide
SMILESCCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C18H20F2N2O4S/c1-2-3-10-21-27(24,25)15-7-5-14(6-8-15)26-12-18(23)22-17-11-13(19)4-9-16(17)20/h4-9,11,21H,2-3,10,12H2,1H3,(H,22,23)
InChIKeyJAZBNJMXNYVIHA-UHFFFAOYSA-N
XLogP3.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.06
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

2-[4-(butylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
CID 28554061
N-(2,5-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16552755
2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide
CID 4046445
N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide
CID 126204503
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide
CID 26717747
N-(4-chlorophenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 5185109
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 46619039
2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
CID 28552672
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273684
N-(2,5-difluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 28553842
2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 126207961
2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28554113

Frequently Asked Questions

What is the IUPAC name of 2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide (CID 28554069) is 2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide is CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1.
What is the InChIKey of 2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide?
The InChIKey is JAZBNJMXNYVIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4S/c1-2-3-10-21-27(24,25)15-7-5-14(6-8-15)26-12-18(23)22-17-11-13(19)4-9-16(17)20/h4-9,11,21H,2-3,10,12H2,1H3,(H,22,23).
What are the key properties of 2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide?
2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide has a molecular weight of 398.43 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 28554069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).