N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C14H19ClF2N2O2S — CID 119935910

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NCc1ccccc1OC(F)F
InChIInChI=1S/C14H18F2N2O2S.ClH/c15-14(16)20-12-4-2-1-3-10(12)8-18-13(19)7-11-9-21-6-5-17-11;/h1-4,11,14,17H,5-9H2,(H,18,19);1H
InChIKeyJNFWCWLEARMYCX-UHFFFAOYSA-N
MW352.83 g/mol
LogP2.42
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935910) has the molecular formula C14H19ClF2N2O2S and a molecular weight of 352.83 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935910
Molecular FormulaC14H19ClF2N2O2S
Molecular Weight352.83 g/mol
Exact Mass352.08
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NCc1ccccc1OC(F)F
InChIInChI=1S/C14H18F2N2O2S.ClH/c15-14(16)20-12-4-2-1-3-10(12)8-18-13(19)7-11-9-21-6-5-17-11;/h1-4,11,14,17H,5-9H2,(H,18,19);1H
InChIKeyJNFWCWLEARMYCX-UHFFFAOYSA-N
XLogP2.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119936439
N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119938875
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119940864
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942100
N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119937162
N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940167
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939815
N-[[4-(phenoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936591
N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119940162
2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119935770
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936634

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935910) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)NCc1ccccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is JNFWCWLEARMYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2S.ClH/c15-14(16)20-12-4-2-1-3-10(12)8-18-13(19)7-11-9-21-6-5-17-11;/h1-4,11,14,17H,5-9H2,(H,18,19);1H.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 352.83 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).