2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide

C22H20ClNO4S — CID 33482790

IUPAC2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cc2ccccc2)cc1
InChIInChI=1S/C22H20ClNO4S/c1-29(26,27)20-10-8-19(9-11-20)24-22(25)15-28-21-12-7-18(23)14-17(21)13-16-5-3-2-4-6-16/h2-12,14H,13,15H2,1H3,(H,24,25)
InChIKeyVBDBHAPOAWLHDP-UHFFFAOYSA-N
MW429.93 g/mol
LogP4.35
Rot. Bonds7

About 2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide

2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 33482790) has the molecular formula C22H20ClNO4S and a molecular weight of 429.93 g/mol. Its IUPAC name is 2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide
PubChem CID33482790
Molecular FormulaC22H20ClNO4S
Molecular Weight429.93 g/mol
Exact Mass429.08
IUPAC Name2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cc2ccccc2)cc1
InChIInChI=1S/C22H20ClNO4S/c1-29(26,27)20-10-8-19(9-11-20)24-22(25)15-28-21-12-7-18(23)14-17(21)13-16-5-3-2-4-6-16/h2-12,14H,13,15H2,1H3,(H,24,25)
InChIKeyVBDBHAPOAWLHDP-UHFFFAOYSA-N
XLogP4.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7900618
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 43277899
2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide
CID 9292846
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
2-(2-benzyl-4-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7671468
1-(2-benzyl-4-chlorophenoxy)propan-2-one
CID 60626538
2-(2-benzoyl-4-chlorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 23149116
4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride
CID 13315417
2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide
CID 60906318
2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 26239246
2-(2,4-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2500700
2-(2-benzylphenoxy)-N-[4-(carbamoylamino)phenyl]acetamide
CID 33152514

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide (CID 33482790) is 2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cc2ccccc2)cc1.
What is the InChIKey of 2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is VBDBHAPOAWLHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO4S/c1-29(26,27)20-10-8-19(9-11-20)24-22(25)15-28-21-12-7-18(23)14-17(21)13-16-5-3-2-4-6-16/h2-12,14H,13,15H2,1H3,(H,24,25).
What are the key properties of 2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide?
2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 429.93 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 33482790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).