2-(3,5-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide

C13H18N2O4S — CID 82914433

IUPAC2-(3,5-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cc(C)c(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C13H18N2O4S/c1-4-5-15-12(16)8-19-11-6-9(2)13(10(3)7-11)20(14,17)18/h4,6-7H,1,5,8H2,2-3H3,(H,15,16)(H2,14,17,18)
InChIKeyNZWILGNWVWEGJK-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.63
Rot. Bonds6

About 2-(3,5-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide

2-(3,5-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide (PubChem CID 82914433) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide
PubChem CID82914433
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-(3,5-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cc(C)c(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C13H18N2O4S/c1-4-5-15-12(16)8-19-11-6-9(2)13(10(3)7-11)20(14,17)18/h4,6-7H,1,5,8H2,2-3H3,(H,15,16)(H2,14,17,18)
InChIKeyNZWILGNWVWEGJK-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-(2,6-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide
CID 82911199
2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-prop-2-enylacetamide
CID 134249295
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride
CID 82915892
3,5-dimethyl-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride
CID 82921237
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 78932793
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 55190627
2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-prop-2-enylacetamide
CID 112619909
2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide
CID 54930522
4-[2-(2-methoxyethylamino)-2-oxoethoxy]-2,6-dimethylbenzenesulfonyl chloride
CID 82911967
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide
CID 107719071

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide?
The IUPAC name of 2-(3,5-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide (CID 82914433) is 2-(3,5-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide is C=CCNC(=O)COc1cc(C)c(S(N)(=O)=O)c(C)c1.
What is the InChIKey of 2-(3,5-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide?
The InChIKey is NZWILGNWVWEGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-4-5-15-12(16)8-19-11-6-9(2)13(10(3)7-11)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-(3,5-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide?
2-(3,5-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-(3,5-dimethyl-4-sulfamoylphenoxy)-N-prop-2-enylacetamide is sourced from PubChem (CID 82914433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).