N-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

C14H19ClF2N2O2S — CID 119687133

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CCCO1)Nc1ccccc1SC(F)F
InChIInChI=1S/C14H18F2N2O2S.ClH/c15-14(16)21-12-6-2-1-5-11(12)18-13(19)9-17-8-10-4-3-7-20-10;/h1-2,5-6,10,14,17H,3-4,7-9H2,(H,18,19);1H
InChIKeyJSRXMFNWSTUMGJ-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.13
Rot. Bonds7

About N-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

N-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (PubChem CID 119687133) has the molecular formula C14H19ClF2N2O2S and a molecular weight of 352.83 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
PubChem CID119687133
Molecular FormulaC14H19ClF2N2O2S
Molecular Weight352.83 g/mol
Exact Mass352.08
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CCCO1)Nc1ccccc1SC(F)F
InChIInChI=1S/C14H18F2N2O2S.ClH/c15-14(16)21-12-6-2-1-5-11(12)18-13(19)9-17-8-10-4-3-7-20-10;/h1-2,5-6,10,14,17H,3-4,7-9H2,(H,18,19);1H
InChIKeyJSRXMFNWSTUMGJ-UHFFFAOYSA-N
XLogP3.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 1439761
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide
CID 645953
2-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54815711
N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 3226886
N-(3-cyclopentyloxy-2-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 91645589
N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24573498
N-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide
CID 66433758
N-(2,6-difluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 43405257
N-(4-iodophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672668
N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 124698301
N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119694259

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (CID 119687133) is N-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is Cl.O=C(CNCC1CCCO1)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The InChIKey is JSRXMFNWSTUMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2S.ClH/c15-14(16)21-12-6-2-1-5-11(12)18-13(19)9-17-8-10-4-3-7-20-10;/h1-2,5-6,10,14,17H,3-4,7-9H2,(H,18,19);1H.
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
N-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride has a molecular weight of 352.83 g/mol, XLogP of 3.13, 7 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-(oxolan-2-ylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119687133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).