N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide

C16H17NO4S — CID 110784498

IUPACN-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C16H17NO4S/c1-22(19,20)15-9-7-13(8-10-15)11-17-16(18)12-21-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyCYAODKIFHRQVOB-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.79
Rot. Bonds6

About N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide

N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide (PubChem CID 110784498) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide
PubChem CID110784498
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C16H17NO4S/c1-22(19,20)15-9-7-13(8-10-15)11-17-16(18)12-21-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyCYAODKIFHRQVOB-UHFFFAOYSA-N
XLogP1.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
N-benzyl-4-(4-methylsulfonylphenoxy)butanamide
CID 51096243
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide
CID 9194458
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
2-phenoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 47043812
N-benzyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1317169
2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 110790654
4-[[4-(4-methylsulfonylphenoxy)butanoylamino]methyl]benzoic acid
CID 119165399
N-[(4-methylphenyl)methyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 4270828
N-[(4-methoxyphenyl)methyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1304675
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 42981356
3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784513

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide (CID 110784498) is N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide is CS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2)cc1.
What is the InChIKey of N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide?
The InChIKey is CYAODKIFHRQVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-22(19,20)15-9-7-13(8-10-15)11-17-16(18)12-21-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide?
N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide has a molecular weight of 319.38 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 110784498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).