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

C18H19F3N2O4S — CID 28552672

IUPAC2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-11(2)9-22-28(25,26)13-5-3-12(4-6-13)27-10-16(24)23-15-8-7-14(19)17(20)18(15)21/h3-8,11,22H,9-10H2,1-2H3,(H,23,24)
InChIKeyZTIOMBPIECRPED-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.06
Rot. Bonds8

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

2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 28552672) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is 2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID28552672
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-11(2)9-22-28(25,26)13-5-3-12(4-6-13)27-10-16(24)23-15-8-7-14(19)17(20)18(15)21/h3-8,11,22H,9-10H2,1-2H3,(H,23,24)
InChIKeyZTIOMBPIECRPED-UHFFFAOYSA-N
XLogP3.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(butylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
CID 28554061
N-(3,5-dimethylphenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126204216
N-(4-methylphenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126212360
2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 9095297
2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2631889
N-(3,4-dichlorophenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126210637
N-[(2R)-butan-2-yl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126213893
2-[4-(butylsulfamoyl)phenoxy]-N-(2,5-difluorophenyl)acetamide
CID 28554069
N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 126212362
N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 43873232
N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 33006391
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126211996

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide (CID 28552672) is 2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide is CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is ZTIOMBPIECRPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-11(2)9-22-28(25,26)13-5-3-12(4-6-13)27-10-16(24)23-15-8-7-14(19)17(20)18(15)21/h3-8,11,22H,9-10H2,1-2H3,(H,23,24).
What are the key properties of 2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide?
2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 416.42 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 28552672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).