2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide

C15H20F2N2O3S — CID 120601223

IUPAC2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide
SMILESCC1CC(NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CCN1
InChIInChI=1S/C15H20F2N2O3S/c1-10-8-12(6-7-18-10)19-14(20)9-11-2-4-13(5-3-11)23(21,22)15(16)17/h2-5,10,12,15,18H,6-9H2,1H3,(H,19,20)
InChIKeyILTCYWRERYARGG-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.48
Rot. Bonds5

About 2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide

2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide (PubChem CID 120601223) has the molecular formula C15H20F2N2O3S and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide
PubChem CID120601223
Molecular FormulaC15H20F2N2O3S
Molecular Weight346.40 g/mol
Exact Mass346.12
IUPAC Name2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide
SMILESCC1CC(NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CCN1
InChIInChI=1S/C15H20F2N2O3S/c1-10-8-12(6-7-18-10)19-14(20)9-11-2-4-13(5-3-11)23(21,22)15(16)17/h2-5,10,12,15,18H,6-9H2,1H3,(H,19,20)
InChIKeyILTCYWRERYARGG-UHFFFAOYSA-N
XLogP1.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide
CID 119426046
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
2-(3,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995354
N-(2-methylpiperidin-4-yl)-2-thiophen-3-ylacetamide
CID 106995263
N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 120599611
N-(2-methylpiperidin-4-yl)-2-thiophen-3-ylacetamide;hydrochloride
CID 120600805
2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995546
3-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600010
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide
CID 120600077
N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide
CID 120598997
2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119561309
2-(4-cyclopropylphenyl)-N-[(3R,5S)-5-methylpyrrolidin-3-yl]acetamide
CID 153395167

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide (CID 120601223) is 2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide is CC1CC(NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CCN1.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide?
The InChIKey is ILTCYWRERYARGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3S/c1-10-8-12(6-7-18-10)19-14(20)9-11-2-4-13(5-3-11)23(21,22)15(16)17/h2-5,10,12,15,18H,6-9H2,1H3,(H,19,20).
What are the key properties of 2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide?
2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide has a molecular weight of 346.40 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 120601223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).