N-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide

C12H16N2O4S — CID 100814368

IUPACN-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide
SMILESC=CCNS(=O)(=O)c1ccc(OCC(=O)NC)cc1
InChIInChI=1S/C12H16N2O4S/c1-3-8-14-19(16,17)11-6-4-10(5-7-11)18-9-12(15)13-2/h3-7,14H,1,8-9H2,2H3,(H,13,15)
InChIKeyZQTNIPXDJOOSFE-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.28
Rot. Bonds7

About N-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide

N-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide (PubChem CID 100814368) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide
PubChem CID100814368
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide
SMILESC=CCNS(=O)(=O)c1ccc(OCC(=O)NC)cc1
InChIInChI=1S/C12H16N2O4S/c1-3-8-14-19(16,17)11-6-4-10(5-7-11)18-9-12(15)13-2/h3-7,14H,1,8-9H2,2H3,(H,13,15)
InChIKeyZQTNIPXDJOOSFE-UHFFFAOYSA-N
XLogP0.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.28
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

N-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide
CID 100815509
2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide
CID 126198035
2-(4-chloro-3-methylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 2987150
4-pentoxy-N-prop-2-enylbenzenesulfonamide
CID 43845618
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide
CID 126213719
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride
CID 82915892
2-(4-methoxyphenyl)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 4929851
2-(2-methoxyphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 4929859
methyl 3-oxo-3-[4-(prop-2-enylsulfamoyl)anilino]propanoate
CID 28637974
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide (CID 100814368) is N-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide is C=CCNS(=O)(=O)c1ccc(OCC(=O)NC)cc1.
What is the InChIKey of N-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide?
The InChIKey is ZQTNIPXDJOOSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-3-8-14-19(16,17)11-6-4-10(5-7-11)18-9-12(15)13-2/h3-7,14H,1,8-9H2,2H3,(H,13,15).
What are the key properties of N-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide?
N-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide has a molecular weight of 284.34 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 100814368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).