2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide

C15H17NO2S — CID 42994656

IUPAC2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1ccc(OC(C)C(=O)NCc2cccs2)cc1
InChIInChI=1S/C15H17NO2S/c1-11-5-7-13(8-6-11)18-12(2)15(17)16-10-14-4-3-9-19-14/h3-9,12H,10H2,1-2H3,(H,16,17)
InChIKeySZONBFKXFSKRAW-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.14
Rot. Bonds5

About 2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide

2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 42994656) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID42994656
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1ccc(OC(C)C(=O)NCc2cccs2)cc1
InChIInChI=1S/C15H17NO2S/c1-11-5-7-13(8-6-11)18-12(2)15(17)16-10-14-4-3-9-19-14/h3-9,12H,10H2,1-2H3,(H,16,17)
InChIKeySZONBFKXFSKRAW-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide
CID 174883197
dimethyl 5-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]oxybenzene-1,3-dicarboxylate
CID 27362446
2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide
CID 109388777
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
2-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 46807295
(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 898910
2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 6490042
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-methylfuran-2-carboxylate
CID 47011570
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-hydroxy-5-methylbenzoate
CID 18091779
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide (CID 42994656) is 2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide is Cc1ccc(OC(C)C(=O)NCc2cccs2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is SZONBFKXFSKRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11-5-7-13(8-6-11)18-12(2)15(17)16-10-14-4-3-9-19-14/h3-9,12H,10H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide?
2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 275.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 42994656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).