3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide

C17H21NO2S — CID 43059642

IUPAC3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide
SMILESCc1ccc(OCCC(=O)NC(C)c2cccs2)c(C)c1
InChIInChI=1S/C17H21NO2S/c1-12-6-7-15(13(2)11-12)20-9-8-17(19)18-14(3)16-5-4-10-21-16/h4-7,10-11,14H,8-9H2,1-3H3,(H,18,19)
InChIKeyFCBLIRBWRORBCX-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.01
Rot. Bonds6

About 3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide

3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide (PubChem CID 43059642) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide
PubChem CID43059642
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide
SMILESCc1ccc(OCCC(=O)NC(C)c2cccs2)c(C)c1
InChIInChI=1S/C17H21NO2S/c1-12-6-7-15(13(2)11-12)20-9-8-17(19)18-14(3)16-5-4-10-21-16/h4-7,10-11,14H,8-9H2,1-3H3,(H,18,19)
InChIKeyFCBLIRBWRORBCX-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)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

2-(2,5-dimethylphenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8910471
3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide
CID 110733991
(2R)-2-[3-(2,4-dimethylphenoxy)propanoylamino]-3-hydroxypropanoic acid
CID 80750754
4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide
CID 112766186
4-(2,4-dimethylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793557
3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide
CID 115735175
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 81408351
5-chloro-N-(1-thiophen-2-ylethyl)pentanamide
CID 43347040
N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33466694
3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide
CID 55204374
tert-butyl 4-oxo-4-(1-thiophen-2-ylethylamino)butanoate
CID 106707023

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide (CID 43059642) is 3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide is Cc1ccc(OCCC(=O)NC(C)c2cccs2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide?
The InChIKey is FCBLIRBWRORBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-12-6-7-15(13(2)11-12)20-9-8-17(19)18-14(3)16-5-4-10-21-16/h4-7,10-11,14H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide?
3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide has a molecular weight of 303.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 43059642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).