2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide

C13H18N2O3S — CID 6467571

IUPAC2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C13H18N2O3S/c1-4-9-14-19(17,18)12-7-5-11(6-8-12)15-13(16)10(2)3/h4-8,10,14H,1,9H2,2-3H3,(H,15,16)
InChIKeyQYPCZOZZMGTVOM-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.75
Rot. Bonds6

About 2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide

2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide (PubChem CID 6467571) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide
PubChem CID6467571
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C13H18N2O3S/c1-4-9-14-19(17,18)12-7-5-11(6-8-12)15-13(16)10(2)3/h4-8,10,14H,1,9H2,2-3H3,(H,15,16)
InChIKeyQYPCZOZZMGTVOM-UHFFFAOYSA-N
XLogP1.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914
N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide
CID 4930373
methyl 3-oxo-3-[4-(prop-2-enylsulfamoyl)anilino]propanoate
CID 28637974
3-methyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]butanamide
CID 4930104
[(2S)-1-anilino-1-oxopropan-2-yl] 4-(prop-2-enylsulfamoyl)benzoate
CID 7828390
2-(4-methoxyphenyl)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 4929851
tert-butyl 2-[[4-(2-methylpropanoylamino)phenyl]sulfonylamino]acetate
CID 22456229
N-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide
CID 90523543
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
CID 34545917
N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037
N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 109058553

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide (CID 6467571) is 2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide is C=CCNS(=O)(=O)c1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide?
The InChIKey is QYPCZOZZMGTVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-4-9-14-19(17,18)12-7-5-11(6-8-12)15-13(16)10(2)3/h4-8,10,14H,1,9H2,2-3H3,(H,15,16).
What are the key properties of 2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide?
2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide has a molecular weight of 282.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 6467571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).