N-[4-(difluoromethylsulfonyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide

C16H22F2N2O3S — CID 51284715

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCCN1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C16H22F2N2O3S/c1-2-13-5-3-4-10-20(13)11-15(21)19-12-6-8-14(9-7-12)24(22,23)16(17)18/h6-9,13,16H,2-5,10-11H2,1H3,(H,19,21)
InChIKeyZAKADYPXXYGCSN-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.89
Rot. Bonds6

About N-[4-(difluoromethylsulfonyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide

N-[4-(difluoromethylsulfonyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide (PubChem CID 51284715) has the molecular formula C16H22F2N2O3S and a molecular weight of 360.43 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
PubChem CID51284715
Molecular FormulaC16H22F2N2O3S
Molecular Weight360.43 g/mol
Exact Mass360.13
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCCN1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C16H22F2N2O3S/c1-2-13-5-3-4-10-20(13)11-15(21)19-12-6-8-14(9-7-12)24(22,23)16(17)18/h6-9,13,16H,2-5,10-11H2,1H3,(H,19,21)
InChIKeyZAKADYPXXYGCSN-UHFFFAOYSA-N
XLogP2.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 109006395
N-[4-(aminomethyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266257
N-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999278
2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109006402
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241
2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide
CID 47104594
4-(difluoromethylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]aniline
CID 43455316
2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide
CID 171704776
2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066658
3-[4-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 62230790
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)acetamide
CID 78787228

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide (CID 51284715) is N-[4-(difluoromethylsulfonyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide is CCC1CCCCN1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide?
The InChIKey is ZAKADYPXXYGCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3S/c1-2-13-5-3-4-10-20(13)11-15(21)19-12-6-8-14(9-7-12)24(22,23)16(17)18/h6-9,13,16H,2-5,10-11H2,1H3,(H,19,21).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide?
N-[4-(difluoromethylsulfonyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide has a molecular weight of 360.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 51284715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).