2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide

C15H17NO3S — CID 109388777

IUPAC2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)NCc1cccs1
InChIInChI=1S/C15H17NO3S/c1-11(15(18)16-9-14-6-3-7-20-14)19-13-5-2-4-12(8-13)10-17/h2-8,11,17H,9-10H2,1H3,(H,16,18)
InChIKeyYIYRUCQCFRAYIA-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.32
Rot. Bonds6

About 2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide

2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 109388777) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID109388777
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)NCc1cccs1
InChIInChI=1S/C15H17NO3S/c1-11(15(18)16-9-14-6-3-7-20-14)19-13-5-2-4-12(8-13)10-17/h2-8,11,17H,9-10H2,1H3,(H,16,18)
InChIKeyYIYRUCQCFRAYIA-UHFFFAOYSA-N
XLogP2.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388890
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 42994656
dimethyl 5-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]oxybenzene-1,3-dicarboxylate
CID 27362446
2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 109388909
N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388957
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] furan-2-carboxylate
CID 651235
(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 898910
3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466
2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide
CID 4928633
2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 86909514
2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide
CID 2970792

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide (CID 109388777) is 2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide is CC(Oc1cccc(CO)c1)C(=O)NCc1cccs1.
What is the InChIKey of 2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is YIYRUCQCFRAYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-11(15(18)16-9-14-6-3-7-20-14)19-13-5-2-4-12(8-13)10-17/h2-8,11,17H,9-10H2,1H3,(H,16,18).
What are the key properties of 2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide?
2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 291.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 109388777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).