N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C17H27ClN2O2S — CID 119936699

IUPACN-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCOc1ccccc1C(CC)NC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C17H26N2O2S.ClH/c1-3-15(14-7-5-6-8-16(14)21-4-2)19-17(20)11-13-12-22-10-9-18-13;/h5-8,13,15,18H,3-4,9-12H2,1-2H3,(H,19,20);1H
InChIKeyRMLWFWKJFDCQPU-UHFFFAOYSA-N
MW358.94 g/mol
LogP3.17
Rot. Bonds7

About N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119936699) has the molecular formula C17H27ClN2O2S and a molecular weight of 358.94 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119936699
Molecular FormulaC17H27ClN2O2S
Molecular Weight358.94 g/mol
Exact Mass358.15
IUPAC NameN-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCOc1ccccc1C(CC)NC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C17H26N2O2S.ClH/c1-3-15(14-7-5-6-8-16(14)21-4-2)19-17(20)11-13-12-22-10-9-18-13;/h5-8,13,15,18H,3-4,9-12H2,1-2H3,(H,19,20);1H
InChIKeyRMLWFWKJFDCQPU-UHFFFAOYSA-N
XLogP3.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.94
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
CID 119935760
N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935389
N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939067
N-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940344
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936443
N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935530
N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66422411
N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939242
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66422032
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119937483
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid
CID 66422867
methyl 3-(3,4-dimethoxyphenyl)-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoate
CID 119935715

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119936699) is N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is CCOc1ccccc1C(CC)NC(=O)CC1CSCCN1.Cl.
What is the InChIKey of N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is RMLWFWKJFDCQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S.ClH/c1-3-15(14-7-5-6-8-16(14)21-4-2)19-17(20)11-13-12-22-10-9-18-13;/h5-8,13,15,18H,3-4,9-12H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 358.94 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119936699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).