N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide

C22H21NO5S — CID 9137878

IUPACN-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C22H21NO5S/c1-29(25,26)21-9-5-8-18(14-21)23-22(24)16-28-20-12-10-19(11-13-20)27-15-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyWYGWLNJNVNRAQV-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.69
Rot. Bonds8

About N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide

N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide (PubChem CID 9137878) has the molecular formula C22H21NO5S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
PubChem CID9137878
Molecular FormulaC22H21NO5S
Molecular Weight411.48 g/mol
Exact Mass411.11
IUPAC NameN-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C22H21NO5S/c1-29(25,26)21-9-5-8-18(14-21)23-22(24)16-28-20-12-10-19(11-13-20)27-15-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyWYGWLNJNVNRAQV-UHFFFAOYSA-N
XLogP3.69
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide
CID 9137794
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559
2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9354192
N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 1132550
2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide
CID 27334833
[2-(3-methylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 26747038
2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 112977838
N-(3-methylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 9354162
N-(3,5-dichlorophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7926056
N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide
CID 26982271
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide (CID 9137878) is N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide is CS(=O)(=O)c1cccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide?
The InChIKey is WYGWLNJNVNRAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5S/c1-29(25,26)21-9-5-8-18(14-21)23-22(24)16-28-20-12-10-19(11-13-20)27-15-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3,(H,23,24).
What are the key properties of N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide?
N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide has a molecular weight of 411.48 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide is sourced from PubChem (CID 9137878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).