N-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide

C17H21NO3S — CID 109388890

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCCc1ccc(CNC(=O)C(C)Oc2cccc(CO)c2)s1
InChIInChI=1S/C17H21NO3S/c1-3-15-7-8-16(22-15)10-18-17(20)12(2)21-14-6-4-5-13(9-14)11-19/h4-9,12,19H,3,10-11H2,1-2H3,(H,18,20)
InChIKeyYJYALYLALLLNOC-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.89
Rot. Bonds7

About N-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide

N-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide (PubChem CID 109388890) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
PubChem CID109388890
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCCc1ccc(CNC(=O)C(C)Oc2cccc(CO)c2)s1
InChIInChI=1S/C17H21NO3S/c1-3-15-7-8-16(22-15)10-18-17(20)12(2)21-14-6-4-5-13(9-14)11-19/h4-9,12,19H,3,10-11H2,1-2H3,(H,18,20)
InChIKeyYJYALYLALLLNOC-UHFFFAOYSA-N
XLogP2.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide
CID 109388777
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 109388909
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388958
N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388957
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
(2S)-2-naphthalen-2-yloxy-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99131030
N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388998
(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide
CID 28567347
2-[3-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)propanamide
CID 109388663
(2S,3S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentanamide
CID 103832951
2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53286233

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide (CID 109388890) is N-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide is CCc1ccc(CNC(=O)C(C)Oc2cccc(CO)c2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is YJYALYLALLLNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-3-15-7-8-16(22-15)10-18-17(20)12(2)21-14-6-4-5-13(9-14)11-19/h4-9,12,19H,3,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
N-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 319.43 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 109388890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).