3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide

C13H19NO3S — CID 47327011

IUPAC3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide
SMILESCc1cccc(CCC(=O)NCCS(C)(=O)=O)c1
InChIInChI=1S/C13H19NO3S/c1-11-4-3-5-12(10-11)6-7-13(15)14-8-9-18(2,16)17/h3-5,10H,6-9H2,1-2H3,(H,14,15)
InChIKeyZBZLGIXBBXNVIL-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.09
Rot. Bonds6

About 3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide

3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide (PubChem CID 47327011) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide
PubChem CID47327011
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide
SMILESCc1cccc(CCC(=O)NCCS(C)(=O)=O)c1
InChIInChI=1S/C13H19NO3S/c1-11-4-3-5-12(10-11)6-7-13(15)14-8-9-18(2,16)17/h3-5,10H,6-9H2,1-2H3,(H,14,15)
InChIKeyZBZLGIXBBXNVIL-UHFFFAOYSA-N
XLogP1.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-methylphenyl)-N-(2-methylsulfonylethyl)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

N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
CID 106843245
N-(3-bromopropyl)-3-(3-methylphenyl)propanamide
CID 62365535
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066712
N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119404890
N-(6-bromohexyl)-3-(3-methylphenyl)propanamide
CID 114008578
N-(6-iodohexyl)-3-(3-methylphenyl)propanamide
CID 107848481
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888
2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanoic acid
CID 66165783
(2S)-2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanoic acid
CID 114006419
ethyl 4-[3-(3-methylphenyl)propanoylamino]butanoate
CID 60700311
3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314321
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide (CID 47327011) is 3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide is Cc1cccc(CCC(=O)NCCS(C)(=O)=O)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide?
The InChIKey is ZBZLGIXBBXNVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11-4-3-5-12(10-11)6-7-13(15)14-8-9-18(2,16)17/h3-5,10H,6-9H2,1-2H3,(H,14,15).
What are the key properties of 3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide?
3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide has a molecular weight of 269.37 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide is sourced from PubChem (CID 47327011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).