2-(2-methylphenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide

C19H21NO4S — CID 9246472

IUPAC2-(2-methylphenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide
SMILESC=CCS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccccc2C)c1
InChIInChI=1S/C19H21NO4S/c1-4-11-25(22,23)16-10-9-14(2)17(12-16)20-19(21)13-24-18-8-6-5-7-15(18)3/h4-10,12H,1,11,13H2,2-3H3,(H,20,21)
InChIKeyYRWDXMAHZBCJRF-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.28
Rot. Bonds7

About 2-(2-methylphenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide

2-(2-methylphenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide (PubChem CID 9246472) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide
PubChem CID9246472
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name2-(2-methylphenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide
SMILESC=CCS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccccc2C)c1
InChIInChI=1S/C19H21NO4S/c1-4-11-25(22,23)16-10-9-14(2)17(12-16)20-19(21)13-24-18-8-6-5-7-15(18)3/h4-10,12H,1,11,13H2,2-3H3,(H,20,21)
InChIKeyYRWDXMAHZBCJRF-UHFFFAOYSA-N
XLogP3.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide
CID 9246477
2-(2-fluorophenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 51198508
N-(2-methyl-5-methylsulfonylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686699
2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 18196078
2-(2-acetylphenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7859322
2,4-difluoro-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzamide
CID 9246462
2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7382540
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 3907497
2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide
CID 3502178
N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 34193972
2-(2,3-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 720593
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 1266199

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide (CID 9246472) is 2-(2-methylphenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide is C=CCS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccccc2C)c1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide?
The InChIKey is YRWDXMAHZBCJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-4-11-25(22,23)16-10-9-14(2)17(12-16)20-19(21)13-24-18-8-6-5-7-15(18)3/h4-10,12H,1,11,13H2,2-3H3,(H,20,21).
What are the key properties of 2-(2-methylphenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide?
2-(2-methylphenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide has a molecular weight of 359.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide is sourced from PubChem (CID 9246472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).