2-[4-(butylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide

C18H19F3N2O4S — CID 28554061

IUPAC2-[4-(butylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-2-3-10-22-28(25,26)13-6-4-12(5-7-13)27-11-16(24)23-15-9-8-14(19)17(20)18(15)21/h4-9,22H,2-3,10-11H2,1H3,(H,23,24)
InChIKeyKYAADRNFUJKNJR-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.20
Rot. Bonds9

About 2-[4-(butylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide

2-[4-(butylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 28554061) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is 2-[4-(butylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(butylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID28554061
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name2-[4-(butylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-2-3-10-22-28(25,26)13-6-4-12(5-7-13)27-11-16(24)23-15-9-8-14(19)17(20)18(15)21/h4-9,22H,2-3,10-11H2,1H3,(H,23,24)
InChIKeyKYAADRNFUJKNJR-UHFFFAOYSA-N
XLogP3.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide
CID 28554069
2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
CID 28552672
2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 9095297
2-[4-(butylsulfamoyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide
CID 4046445
N-(4-chlorophenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 5185109
2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2631889
2-(4-ethylphenoxy)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 4932605
2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 126207961
N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide
CID 126204503
N-(2,6-dimethylphenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 45375299
2-[(4-ethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26055395
2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide
CID 17482935

Frequently Asked Questions

What is the IUPAC name of 2-[4-(butylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[4-(butylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide (CID 28554061) is 2-[4-(butylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(butylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[4-(butylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide is CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 2-[4-(butylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is KYAADRNFUJKNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-2-3-10-22-28(25,26)13-6-4-12(5-7-13)27-11-16(24)23-15-9-8-14(19)17(20)18(15)21/h4-9,22H,2-3,10-11H2,1H3,(H,23,24).
What are the key properties of 2-[4-(butylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide?
2-[4-(butylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 416.42 g/mol, XLogP of 3.20, 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-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 28554061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).