N-ethyl-N-(2-methylprop-2-enyl)-2-(4-methylsulfonylphenoxy)acetamide

C15H21NO4S — CID 78790698

IUPACN-ethyl-N-(2-methylprop-2-enyl)-2-(4-methylsulfonylphenoxy)acetamide
SMILESC=C(C)CN(CC)C(=O)COc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H21NO4S/c1-5-16(10-12(2)3)15(17)11-20-13-6-8-14(9-7-13)21(4,18)19/h6-9H,2,5,10-11H2,1,3-4H3
InChIKeyICJWCWYTJUWXSK-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.89
Rot. Bonds7

About N-ethyl-N-(2-methylprop-2-enyl)-2-(4-methylsulfonylphenoxy)acetamide

N-ethyl-N-(2-methylprop-2-enyl)-2-(4-methylsulfonylphenoxy)acetamide (PubChem CID 78790698) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-2-(4-methylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-2-(4-methylsulfonylphenoxy)acetamide
PubChem CID78790698
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-2-(4-methylsulfonylphenoxy)acetamide
SMILESC=C(C)CN(CC)C(=O)COc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H21NO4S/c1-5-16(10-12(2)3)15(17)11-20-13-6-8-14(9-7-13)21(4,18)19/h6-9H,2,5,10-11H2,1,3-4H3
InChIKeyICJWCWYTJUWXSK-UHFFFAOYSA-N
XLogP1.89
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-N-(2-methylprop-2-enyl)-2-(4-methylsulfonylphenoxy)acetamide 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

N-ethyl-2-(4-methylphenoxy)-N-(2-methylprop-2-enyl)acetamide
CID 78762140
2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 84602202
N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128546
N,N-diethyl-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 45375378
2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid
CID 54900881
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 171317631
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55317010
2-(2,6-dimethoxyphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78767254
2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78762100
2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 112781553
N,N-diethyl-2-(4-sulfanylphenoxy)acetamide
CID 23092623
2-[4-(cyclopentylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 45374145

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-(4-methylsulfonylphenoxy)acetamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-(4-methylsulfonylphenoxy)acetamide (CID 78790698) is N-ethyl-N-(2-methylprop-2-enyl)-2-(4-methylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-2-(4-methylsulfonylphenoxy)acetamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-2-(4-methylsulfonylphenoxy)acetamide is C=C(C)CN(CC)C(=O)COc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-2-(4-methylsulfonylphenoxy)acetamide?
The InChIKey is ICJWCWYTJUWXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-5-16(10-12(2)3)15(17)11-20-13-6-8-14(9-7-13)21(4,18)19/h6-9H,2,5,10-11H2,1,3-4H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-2-(4-methylsulfonylphenoxy)acetamide?
N-ethyl-N-(2-methylprop-2-enyl)-2-(4-methylsulfonylphenoxy)acetamide has a molecular weight of 311.40 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-2-(4-methylsulfonylphenoxy)acetamide is sourced from PubChem (CID 78790698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).