2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide

C19H22Cl2N2O4S — CID 126277429

IUPAC2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl2N2O4S/c1-13(2)10-23-28(25,26)15-7-8-18(17(21)9-15)27-12-19(24)22-11-14-5-3-4-6-16(14)20/h3-9,13,23H,10-12H2,1-2H3,(H,22,24)
InChIKeyTWXMAIYSICXVGR-UHFFFAOYSA-N
MW445.37 g/mol
LogP3.62
Rot. Bonds9

About 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide

2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 126277429) has the molecular formula C19H22Cl2N2O4S and a molecular weight of 445.37 g/mol. Its IUPAC name is 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID126277429
Molecular FormulaC19H22Cl2N2O4S
Molecular Weight445.37 g/mol
Exact Mass444.07
IUPAC Name2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl2N2O4S/c1-13(2)10-23-28(25,26)15-7-8-18(17(21)9-15)27-12-19(24)22-11-14-5-3-4-6-16(14)20/h3-9,13,23H,10-12H2,1-2H3,(H,22,24)
InChIKeyTWXMAIYSICXVGR-UHFFFAOYSA-N
XLogP3.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
CID 126383679
N-[(2-chlorophenyl)methyl]-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 3993771
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide
CID 126263338
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide
CID 126274408
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 1007844
2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
CID 17194226
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126274272
N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 5001110
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2207126
N-[(2-chlorophenyl)methyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394275
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
N-(furan-2-ylmethyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 1243341

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide (CID 126277429) is 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide is CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is TWXMAIYSICXVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S/c1-13(2)10-23-28(25,26)15-7-8-18(17(21)9-15)27-12-19(24)22-11-14-5-3-4-6-16(14)20/h3-9,13,23H,10-12H2,1-2H3,(H,22,24).
What are the key properties of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide?
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 445.37 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 126277429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).