N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C15H22ClFN2O2S — CID 119938762

IUPACN-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)CC2CSCCN2)cc1F.Cl
InChIInChI=1S/C15H21FN2O2S.ClH/c1-20-14-3-2-11(8-13(14)16)4-5-18-15(19)9-12-10-21-7-6-17-12;/h2-3,8,12,17H,4-7,9-10H2,1H3,(H,18,19);1H
InChIKeyDQPWZERAXFMMID-UHFFFAOYSA-N
MW348.87 g/mol
LogP2.01
Rot. Bonds6

About N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119938762) has the molecular formula C15H22ClFN2O2S and a molecular weight of 348.87 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119938762
Molecular FormulaC15H22ClFN2O2S
Molecular Weight348.87 g/mol
Exact Mass348.11
IUPAC NameN-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)CC2CSCCN2)cc1F.Cl
InChIInChI=1S/C15H21FN2O2S.ClH/c1-20-14-3-2-11(8-13(14)16)4-5-18-15(19)9-12-10-21-7-6-17-12;/h2-3,8,12,17H,4-7,9-10H2,1H3,(H,18,19);1H
InChIKeyDQPWZERAXFMMID-UHFFFAOYSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66423074
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421239
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936443
N-[2-[4-(2-methylpropoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938917
N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938649
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119774842
4-[2-[(2-thiomorpholin-3-ylacetyl)amino]ethyl]benzoic acid
CID 66422869
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119935250
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938758
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-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119938762) is N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is COc1ccc(CCNC(=O)CC2CSCCN2)cc1F.Cl.
What is the InChIKey of N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is DQPWZERAXFMMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S.ClH/c1-20-14-3-2-11(8-13(14)16)4-5-18-15(19)9-12-10-21-7-6-17-12;/h2-3,8,12,17H,4-7,9-10H2,1H3,(H,18,19);1H.
What are the key properties of N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119938762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).