2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide

C17H18N2O5S — CID 9354192

IUPAC2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1cccc(OCC(=O)Nc2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C17H18N2O5S/c1-12(20)18-13-5-3-7-15(9-13)24-11-17(21)19-14-6-4-8-16(10-14)25(2,22)23/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOFRCFMXKXJLZFC-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.07
Rot. Bonds6

About 2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide

2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 9354192) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide
PubChem CID9354192
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1cccc(OCC(=O)Nc2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C17H18N2O5S/c1-12(20)18-13-5-3-7-15(9-13)24-11-17(21)19-14-6-4-8-16(10-14)25(2,22)23/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOFRCFMXKXJLZFC-UHFFFAOYSA-N
XLogP2.07
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559
N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide
CID 9137794
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 8982597
N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 9137878
N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 9071755
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide
CID 39044484
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-(3-acetamidophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 7697860
2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9354027
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
2-(3-acetamidophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 964555

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide (CID 9354192) is 2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide is CC(=O)Nc1cccc(OCC(=O)Nc2cccc(S(C)(=O)=O)c2)c1.
What is the InChIKey of 2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is OFRCFMXKXJLZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-12(20)18-13-5-3-7-15(9-13)24-11-17(21)19-14-6-4-8-16(10-14)25(2,22)23/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide?
2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 362.41 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 9354192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).