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

C21H19NO4S — CID 9137794

IUPACN-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C21H19NO4S/c1-27(24,25)20-9-5-8-18(14-20)22-21(23)15-26-19-12-10-17(11-13-19)16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,22,23)
InChIKeyOSNQASCYJLAOMP-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.77
Rot. Bonds6

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

N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide (PubChem CID 9137794) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide
PubChem CID9137794
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC NameN-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C21H19NO4S/c1-27(24,25)20-9-5-8-18(14-20)22-21(23)15-26-19-12-10-17(11-13-19)16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,22,23)
InChIKeyOSNQASCYJLAOMP-UHFFFAOYSA-N
XLogP3.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 9137878
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559
2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9354192
N-(3-methylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 9354162
2-(4-phenylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154728
2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide
CID 27334833
N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 9071755
N-(4-anilinophenyl)-2-(4-phenylphenoxy)acetamide
CID 4511463
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 8982597
2-(4-fluorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 42989226

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide (CID 9137794) is N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide is CS(=O)(=O)c1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide?
The InChIKey is OSNQASCYJLAOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c1-27(24,25)20-9-5-8-18(14-20)22-21(23)15-26-19-12-10-17(11-13-19)16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,22,23).
What are the key properties of N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide?
N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide has a molecular weight of 381.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 9137794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).