3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide

C11H16N2O4S — CID 82913119

IUPAC3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide
SMILESCc1cc(S(N)(=O)=O)cc(C)c1OCCC(N)=O
InChIInChI=1S/C11H16N2O4S/c1-7-5-9(18(13,15)16)6-8(2)11(7)17-4-3-10(12)14/h5-6H,3-4H2,1-2H3,(H2,12,14)(H2,13,15,16)
InChIKeyJBBCVWJPCYKNHN-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.21
Rot. Bonds5

About 3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide

3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide (PubChem CID 82913119) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide.

Molecular Properties

Compound Name3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide
PubChem CID82913119
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide
SMILESCc1cc(S(N)(=O)=O)cc(C)c1OCCC(N)=O
InChIInChI=1S/C11H16N2O4S/c1-7-5-9(18(13,15)16)6-8(2)11(7)17-4-3-10(12)14/h5-6H,3-4H2,1-2H3,(H2,12,14)(H2,13,15,16)
InChIKeyJBBCVWJPCYKNHN-UHFFFAOYSA-N
XLogP0.21
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82911999
4-but-3-enoxy-3,5-dimethylbenzenesulfonamide
CID 82913781
2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide
CID 82913111
4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
CID 82913558
2-(3-amino-3-oxopropoxy)-5-bromo-3-methylbenzenesulfonyl chloride
CID 82921454
3,5-dimethyl-4-(2-methylidenebutoxy)benzenesulfonamide
CID 82914223
3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
CID 60907081
3-(2,4-difluoro-6-sulfamoylphenoxy)propanamide
CID 82919002
3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide
CID 112619816
2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide
CID 82911199
3,5-dimethyl-4-[3-(oxolan-2-yl)propoxy]benzenesulfonamide
CID 65163200
3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
CID 103003963

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide?
The IUPAC name of 3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide (CID 82913119) is 3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide.
What is the SMILES notation for 3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide?
The canonical SMILES for 3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide is Cc1cc(S(N)(=O)=O)cc(C)c1OCCC(N)=O.
What is the InChIKey of 3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide?
The InChIKey is JBBCVWJPCYKNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7-5-9(18(13,15)16)6-8(2)11(7)17-4-3-10(12)14/h5-6H,3-4H2,1-2H3,(H2,12,14)(H2,13,15,16).
What are the key properties of 3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide?
3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide has a molecular weight of 272.33 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide is sourced from PubChem (CID 82913119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).