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

C18H20F2N2O4S — CID 1211174

IUPACN-(2,4-difluorophenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H20F2N2O4S/c1-12(2)10-21-27(24,25)15-6-4-14(5-7-15)26-11-18(23)22-17-8-3-13(19)9-16(17)20/h3-9,12,21H,10-11H2,1-2H3,(H,22,23)
InChIKeyWJZHVJKWQZXCFJ-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.92
Rot. Bonds8

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

N-(2,4-difluorophenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide (PubChem CID 1211174) has the molecular formula C18H20F2N2O4S and a molecular weight of 398.43 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
PubChem CID1211174
Molecular FormulaC18H20F2N2O4S
Molecular Weight398.43 g/mol
Exact Mass398.11
IUPAC NameN-(2,4-difluorophenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H20F2N2O4S/c1-12(2)10-21-27(24,25)15-6-4-14(5-7-15)26-11-18(23)22-17-8-3-13(19)9-16(17)20/h3-9,12,21H,10-11H2,1-2H3,(H,22,23)
InChIKeyWJZHVJKWQZXCFJ-UHFFFAOYSA-N
XLogP2.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide (CID 1211174) is N-(2,4-difluorophenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide is CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The InChIKey is WJZHVJKWQZXCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4S/c1-12(2)10-21-27(24,25)15-6-4-14(5-7-15)26-11-18(23)22-17-8-3-13(19)9-16(17)20/h3-9,12,21H,10-11H2,1-2H3,(H,22,23).
What are the key properties of N-(2,4-difluorophenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
N-(2,4-difluorophenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide has a molecular weight of 398.43 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 1211174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).