2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide

C13H18N2O4S — CID 82911199

IUPAC2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1c(C)cc(S(N)(=O)=O)cc1C
InChIInChI=1S/C13H18N2O4S/c1-4-5-15-12(16)8-19-13-9(2)6-11(7-10(13)3)20(14,17)18/h4,6-7H,1,5,8H2,2-3H3,(H,15,16)(H2,14,17,18)
InChIKeyZPXYUMDZDIAHSF-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.63
Rot. Bonds6

About 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide

2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide (PubChem CID 82911199) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide
PubChem CID82911199
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1c(C)cc(S(N)(=O)=O)cc1C
InChIInChI=1S/C13H18N2O4S/c1-4-5-15-12(16)8-19-13-9(2)6-11(7-10(13)3)20(14,17)18/h4,6-7H,1,5,8H2,2-3H3,(H,15,16)(H2,14,17,18)
InChIKeyZPXYUMDZDIAHSF-UHFFFAOYSA-N
XLogP0.63
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide
CID 82914433
3,5-dimethyl-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride
CID 82921237
2-(2,6-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82911999
2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-prop-2-enylacetamide
CID 112619909
4-but-3-enoxy-3,5-dimethylbenzenesulfonamide
CID 82913781
4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
CID 82913558
3,5-dimethyl-4-(2-methylidenebutoxy)benzenesulfonamide
CID 82914223
2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide
CID 82913111
3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide
CID 82913119
4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride
CID 82915892
2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide
CID 61390786
N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide
CID 82910962

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide (CID 82911199) is 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide is C=CCNC(=O)COc1c(C)cc(S(N)(=O)=O)cc1C.
What is the InChIKey of 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide?
The InChIKey is ZPXYUMDZDIAHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-4-5-15-12(16)8-19-13-9(2)6-11(7-10(13)3)20(14,17)18/h4,6-7H,1,5,8H2,2-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide?
2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide has a molecular weight of 298.36 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide is sourced from PubChem (CID 82911199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).