3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide

C18H21NO4S — CID 27334719

IUPAC3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C18H21NO4S/c1-13-7-8-14(2)17(11-13)23-10-9-18(20)19-15-5-4-6-16(12-15)24(3,21)22/h4-8,11-12H,9-10H2,1-3H3,(H,19,20)
InChIKeyOAKDQEMIKLSAOC-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.11
Rot. Bonds6

About 3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide

3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide (PubChem CID 27334719) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide
PubChem CID27334719
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C18H21NO4S/c1-13-7-8-14(2)17(11-13)23-10-9-18(20)19-15-5-4-6-16(12-15)24(3,21)22/h4-8,11-12H,9-10H2,1-3H3,(H,19,20)
InChIKeyOAKDQEMIKLSAOC-UHFFFAOYSA-N
XLogP3.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(tert-butylsulfamoyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide
CID 39736119
N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 7946465
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656
N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 16790811
methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate
CID 26240710
3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 4802672
4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide
CID 26722725
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide
CID 27334790
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 42369765
N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide
CID 8933646

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide (CID 27334719) is 3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide is Cc1ccc(C)c(OCCC(=O)Nc2cccc(S(C)(=O)=O)c2)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide?
The InChIKey is OAKDQEMIKLSAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-13-7-8-14(2)17(11-13)23-10-9-18(20)19-15-5-4-6-16(12-15)24(3,21)22/h4-8,11-12H,9-10H2,1-3H3,(H,19,20).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide?
3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide has a molecular weight of 347.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 27334719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).