2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide

C13H20N2O4S — CID 82913111

IUPAC2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1c(C)cc(S(N)(=O)=O)cc1C
InChIInChI=1S/C13H20N2O4S/c1-5-15(4)12(16)8-19-13-9(2)6-11(7-10(13)3)20(14,17)18/h6-7H,5,8H2,1-4H3,(H2,14,17,18)
InChIKeyXTBNAENHSRCOKJ-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.81
Rot. Bonds5

About 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide

2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide (PubChem CID 82913111) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide
PubChem CID82913111
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1c(C)cc(S(N)(=O)=O)cc1C
InChIInChI=1S/C13H20N2O4S/c1-5-15(4)12(16)8-19-13-9(2)6-11(7-10(13)3)20(14,17)18/h6-7H,5,8H2,1-4H3,(H2,14,17,18)
InChIKeyXTBNAENHSRCOKJ-UHFFFAOYSA-N
XLogP0.81
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82911999
3,5-dimethyl-4-(2-methylidenebutoxy)benzenesulfonamide
CID 82914223
2-(2-amino-4-bromo-6-methylphenoxy)-N-ethyl-N-methylacetamide
CID 79843874
3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide
CID 82913119
4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
CID 82913558
2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide
CID 82911199
2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 82916982
2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide
CID 107739825
ethyl 2,3-dimethyl-5-sulfamoylbenzoate
CID 63840159
3-bromo-5-ethoxy-4-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 43627087
4-but-3-enoxy-3,5-dimethylbenzenesulfonamide
CID 82913781
3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-4-methylbenzoic acid
CID 61379950

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide (CID 82913111) is 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide is CCN(C)C(=O)COc1c(C)cc(S(N)(=O)=O)cc1C.
What is the InChIKey of 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide?
The InChIKey is XTBNAENHSRCOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-5-15(4)12(16)8-19-13-9(2)6-11(7-10(13)3)20(14,17)18/h6-7H,5,8H2,1-4H3,(H2,14,17,18).
What are the key properties of 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide?
2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide has a molecular weight of 300.38 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 82913111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).