N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C16H25ClN2O3S — CID 119936443

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCOc1ccc(CNC(=O)CC2CSCCN2)cc1OC.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-3-21-14-5-4-12(8-15(14)20-2)10-18-16(19)9-13-11-22-7-6-17-13;/h4-5,8,13,17H,3,6-7,9-11H2,1-2H3,(H,18,19);1H
InChIKeyQLAJKNLXAJOIOX-UHFFFAOYSA-N
MW360.91 g/mol
LogP2.23
Rot. Bonds7

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119936443) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119936443
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCOc1ccc(CNC(=O)CC2CSCCN2)cc1OC.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-3-21-14-5-4-12(8-15(14)20-2)10-18-16(19)9-13-11-22-7-6-17-13;/h4-5,8,13,17H,3,6-7,9-11H2,1-2H3,(H,18,19);1H
InChIKeyQLAJKNLXAJOIOX-UHFFFAOYSA-N
XLogP2.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938758
N-[(3-ethoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936440
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938762
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938870
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941150
N-[[3-(2-methylpropoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937835
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119937973
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 43398915
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
CID 119935760
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936699
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941600

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119936443) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is CCOc1ccc(CNC(=O)CC2CSCCN2)cc1OC.Cl.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is QLAJKNLXAJOIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S.ClH/c1-3-21-14-5-4-12(8-15(14)20-2)10-18-16(19)9-13-11-22-7-6-17-13;/h4-5,8,13,17H,3,6-7,9-11H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119936443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).