2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide

C16H18F2N4OS — CID 122356294

IUPAC2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide
SMILESCc1nc(N(C)C)nc(C)c1NC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C16H18F2N4OS/c1-9-13(10(2)20-16(19-9)22(3)4)21-14(23)11-7-5-6-8-12(11)24-15(17)18/h5-8,15H,1-4H3,(H,21,23)
InChIKeyKENDYPSJUQXWNE-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.73
Rot. Bonds5

About 2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide

2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide (PubChem CID 122356294) has the molecular formula C16H18F2N4OS and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide
PubChem CID122356294
Molecular FormulaC16H18F2N4OS
Molecular Weight352.41 g/mol
Exact Mass352.12
IUPAC Name2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide
SMILESCc1nc(N(C)C)nc(C)c1NC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C16H18F2N4OS/c1-9-13(10(2)20-16(19-9)22(3)4)21-14(23)11-7-5-6-8-12(11)24-15(17)18/h5-8,15H,1-4H3,(H,21,23)
InChIKeyKENDYPSJUQXWNE-UHFFFAOYSA-N
XLogP3.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethylsulfonyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide
CID 122356295
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide
CID 91968502
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 122356232
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide
CID 122356325
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide
CID 122356252
2-(difluoromethylsulfanyl)-N-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 166365803
N-tert-butyl-2-(difluoromethylsulfanyl)benzamide
CID 60645913
2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide
CID 17424318
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122356267
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-(2-fluorophenyl)acetamide
CID 122356290
2-(difluoromethylsulfanyl)-N-(1H-imidazol-2-yl)benzamide
CID 55027696
(2R)-2-[[2-(difluoromethylsulfanyl)benzoyl]amino]propanoic acid
CID 54990748

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide (CID 122356294) is 2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide is Cc1nc(N(C)C)nc(C)c1NC(=O)c1ccccc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide?
The InChIKey is KENDYPSJUQXWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4OS/c1-9-13(10(2)20-16(19-9)22(3)4)21-14(23)11-7-5-6-8-12(11)24-15(17)18/h5-8,15H,1-4H3,(H,21,23).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide?
2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide has a molecular weight of 352.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide is sourced from PubChem (CID 122356294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).