2-(3,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide

C20H25NO4S — CID 133165675

IUPAC2-(3,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C20H25NO4S/c1-13-10-14(2)12-18(11-13)25-16(4)20(22)21-15(3)17-6-8-19(9-7-17)26(5,23)24/h6-12,15-16H,1-5H3,(H,21,22)
InChIKeyYJGBHOROVXNNJM-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.35
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide

2-(3,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide (PubChem CID 133165675) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
PubChem CID133165675
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name2-(3,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C20H25NO4S/c1-13-10-14(2)12-18(11-13)25-16(4)20(22)21-15(3)17-6-8-19(9-7-17)26(5,23)24/h6-12,15-16H,1-5H3,(H,21,22)
InChIKeyYJGBHOROVXNNJM-UHFFFAOYSA-N
XLogP3.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide 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

(2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 40843072
(2S)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 99132186
2-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 133165674
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 94057718
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 26468206
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 92671742
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 92671745
2-(3,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165649
2-amino-2-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride
CID 120666863
(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94013055
(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride
CID 119274664
(2R)-2-(3,5-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100569884

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide (CID 133165675) is 2-(3,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide is Cc1cc(C)cc(OC(C)C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The InChIKey is YJGBHOROVXNNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-13-10-14(2)12-18(11-13)25-16(4)20(22)21-15(3)17-6-8-19(9-7-17)26(5,23)24/h6-12,15-16H,1-5H3,(H,21,22).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
2-(3,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide has a molecular weight of 375.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide is sourced from PubChem (CID 133165675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).