N-methylsulfonyl-2-(4-phenoxyphenoxy)acetamide

C15H15NO5S — CID 146154493

IUPACN-methylsulfonyl-2-(4-phenoxyphenoxy)acetamide
SMILESCS(=O)(=O)NC(=O)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H15NO5S/c1-22(18,19)16-15(17)11-20-12-7-9-14(10-8-12)21-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17)
InChIKeyCXIUUSLDUZKIIK-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.93
Rot. Bonds6

About N-methylsulfonyl-2-(4-phenoxyphenoxy)acetamide

N-methylsulfonyl-2-(4-phenoxyphenoxy)acetamide (PubChem CID 146154493) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is N-methylsulfonyl-2-(4-phenoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-methylsulfonyl-2-(4-phenoxyphenoxy)acetamide
PubChem CID146154493
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC NameN-methylsulfonyl-2-(4-phenoxyphenoxy)acetamide
SMILESCS(=O)(=O)NC(=O)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H15NO5S/c1-22(18,19)16-15(17)11-20-12-7-9-14(10-8-12)21-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17)
InChIKeyCXIUUSLDUZKIIK-UHFFFAOYSA-N
XLogP1.93
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenoxyphenoxy)acetohydrazide
CID 873173
2-(4-phenoxyphenoxy)-N'-phenylacetohydrazide
CID 78835711
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
CID 7611072
3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoic acid
CID 3630383
2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761
2-(2-benzylphenoxy)-N-methylsulfonylacetamide
CID 134106534
N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide
CID 46433016
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
(2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate
CID 2334236
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 18870478

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-2-(4-phenoxyphenoxy)acetamide?
The IUPAC name of N-methylsulfonyl-2-(4-phenoxyphenoxy)acetamide (CID 146154493) is N-methylsulfonyl-2-(4-phenoxyphenoxy)acetamide.
What is the SMILES notation for N-methylsulfonyl-2-(4-phenoxyphenoxy)acetamide?
The canonical SMILES for N-methylsulfonyl-2-(4-phenoxyphenoxy)acetamide is CS(=O)(=O)NC(=O)COc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-methylsulfonyl-2-(4-phenoxyphenoxy)acetamide?
The InChIKey is CXIUUSLDUZKIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-22(18,19)16-15(17)11-20-12-7-9-14(10-8-12)21-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17).
What are the key properties of N-methylsulfonyl-2-(4-phenoxyphenoxy)acetamide?
N-methylsulfonyl-2-(4-phenoxyphenoxy)acetamide has a molecular weight of 321.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-2-(4-phenoxyphenoxy)acetamide is sourced from PubChem (CID 146154493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).