2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide

C13H20N2O5S — CID 82913296

IUPAC2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(S(N)(=O)=O)c(C)c1C
InChIInChI=1S/C13H20N2O5S/c1-9-10(2)12(21(14,17)18)5-4-11(9)20-8-13(16)15-6-7-19-3/h4-5H,6-8H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyLLBWQYREQHTQHP-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.09
Rot. Bonds7

About 2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide

2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 82913296) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID82913296
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(S(N)(=O)=O)c(C)c1C
InChIInChI=1S/C13H20N2O5S/c1-9-10(2)12(21(14,17)18)5-4-11(9)20-8-13(16)15-6-7-19-3/h4-5H,6-8H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyLLBWQYREQHTQHP-UHFFFAOYSA-N
XLogP0.09
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82913298
N-cyclopropyl-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82921851
2-(2,4-difluoro-6-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82915817
N-(3-methoxypropyl)-2-(3-methyl-4-sulfamoylphenoxy)acetamide
CID 82917921
[2-(2-methoxyethylamino)-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate
CID 55427640
4-[2-(2-methoxyethylamino)-2-oxoethoxy]-3-methylbenzenesulfonyl chloride
CID 82917868
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
CID 78936347
4-(2,3-dimethyl-4-sulfamoylphenoxy)butanoic acid
CID 43342347
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
4-ethoxy-2,3-dimethylbenzenesulfonamide
CID 43164397
2-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
CID 78933862
N-(2-methoxyethyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126385177

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide (CID 82913296) is 2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1ccc(S(N)(=O)=O)c(C)c1C.
What is the InChIKey of 2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is LLBWQYREQHTQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-9-10(2)12(21(14,17)18)5-4-11(9)20-8-13(16)15-6-7-19-3/h4-5H,6-8H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide?
2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 316.38 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 82913296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).