N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide

C17H19NO4S — CID 34193972

IUPACN-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(S(C)(=O)=O)ccc2C)cc1
InChIInChI=1S/C17H19NO4S/c1-12-4-7-14(8-5-12)22-11-17(19)18-16-10-15(23(3,20)21)9-6-13(16)2/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyYZBGSBLAFXDNNW-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.72
Rot. Bonds5

About N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide

N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide (PubChem CID 34193972) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
PubChem CID34193972
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(S(C)(=O)=O)ccc2C)cc1
InChIInChI=1S/C17H19NO4S/c1-12-4-7-14(8-5-12)22-11-17(19)18-16-10-15(23(3,20)21)9-6-13(16)2/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyYZBGSBLAFXDNNW-UHFFFAOYSA-N
XLogP2.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)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

2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 18196078
N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 78790672
N-(2-methyl-5-methylsulfonylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26811243
2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 51174673
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 695153
2-(2-fluorophenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 51198508
N-[4-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide
CID 39967087
N-(2,5-dimethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4259927
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
N-(2-methyl-5-methylsulfonylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686699
2-(4-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7929166
N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46480929

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide (CID 34193972) is N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cc(S(C)(=O)=O)ccc2C)cc1.
What is the InChIKey of N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is YZBGSBLAFXDNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-12-4-7-14(8-5-12)22-11-17(19)18-16-10-15(23(3,20)21)9-6-13(16)2/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide?
N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 34193972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).