N-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide

C13H16F2N2O2S — CID 66433758

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)Nc1ccccc1SC(F)F
InChIInChI=1S/C13H16F2N2O2S/c14-13(15)20-11-4-2-1-3-10(11)17-12(18)7-9-8-16-5-6-19-9/h1-4,9,13,16H,5-8H2,(H,17,18)
InChIKeySEAMLFKWMWYSRH-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide (PubChem CID 66433758) has the molecular formula C13H16F2N2O2S and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide
PubChem CID66433758
Molecular FormulaC13H16F2N2O2S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)Nc1ccccc1SC(F)F
InChIInChI=1S/C13H16F2N2O2S/c14-13(15)20-11-4-2-1-3-10(11)17-12(18)7-9-8-16-5-6-19-9/h1-4,9,13,16H,5-8H2,(H,17,18)
InChIKeySEAMLFKWMWYSRH-UHFFFAOYSA-N
XLogP2.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopentylsulfanylphenyl)-2-morpholin-2-ylacetamide
CID 119042060
N-[2-(dimethylamino)phenyl]-2-morpholin-2-ylacetamide;dihydrochloride
CID 119843667
methyl 2-[(2-morpholin-2-ylacetyl)amino]benzoate
CID 66433003
N-(2-benzylphenyl)-2-morpholin-2-ylacetamide
CID 119675738
2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265
N-(2-methylpropyl)-2-[(2-morpholin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119684646
N-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119687133
2-methyl-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid
CID 66434366
N-(3-chloro-2-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119671783
N-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylacetamide
CID 66432981
N-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylacetamide
CID 113266175
N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide
CID 103808527

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide (CID 66433758) is N-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide is O=C(CC1CNCCO1)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide?
The InChIKey is SEAMLFKWMWYSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2S/c14-13(15)20-11-4-2-1-3-10(11)17-12(18)7-9-8-16-5-6-19-9/h1-4,9,13,16H,5-8H2,(H,17,18).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide has a molecular weight of 302.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide is sourced from PubChem (CID 66433758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).