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

C20H25NO4S — CID 133165674

IUPAC2-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCc1ccc(OC(C)C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C20H25NO4S/c1-13-6-11-19(14(2)12-13)25-16(4)20(22)21-15(3)17-7-9-18(10-8-17)26(5,23)24/h6-12,15-16H,1-5H3,(H,21,22)
InChIKeyCYHWSZAARHQIOY-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.35
Rot. Bonds6

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

2-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide (PubChem CID 133165674) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
PubChem CID133165674
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name2-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCc1ccc(OC(C)C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C20H25NO4S/c1-13-6-11-19(14(2)12-13)25-16(4)20(22)21-15(3)17-7-9-18(10-8-17)26(5,23)24/h6-12,15-16H,1-5H3,(H,21,22)
InChIKeyCYHWSZAARHQIOY-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

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Related Compounds

(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 94057718
(2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 40843072
2-(3,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 133165675
(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94013055
(2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100569830
(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133147
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 125082559
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100724187
2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133231101
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
CID 9173478
2-(2,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096229
(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride
CID 119274664

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide (CID 133165674) is 2-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide is Cc1ccc(OC(C)C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The InChIKey is CYHWSZAARHQIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-13-6-11-19(14(2)12-13)25-16(4)20(22)21-15(3)17-7-9-18(10-8-17)26(5,23)24/h6-12,15-16H,1-5H3,(H,21,22).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
2-(2,4-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-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide is sourced from PubChem (CID 133165674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).