N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide

C16H24N2O4S — CID 51099314

IUPACN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide
SMILESCCS(=O)(=O)c1ccc(N2CCC(NC(=O)COC)CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-23(20,21)15-6-4-14(5-7-15)18-10-8-13(9-11-18)17-16(19)12-22-2/h4-7,13H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyPZAIGLNGRBOTFT-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.21
Rot. Bonds6

About N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide

N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide (PubChem CID 51099314) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide
PubChem CID51099314
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide
SMILESCCS(=O)(=O)c1ccc(N2CCC(NC(=O)COC)CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-23(20,21)15-6-4-14(5-7-15)18-10-8-13(9-11-18)17-16(19)12-22-2/h4-7,13H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyPZAIGLNGRBOTFT-UHFFFAOYSA-N
XLogP1.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide
CID 47054291
bis[1-(4-ethylsulfonylphenyl)piperidin-4-yl]methanone
CID 174945351
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538
1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine
CID 62591940
N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 177185737
5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 60602914
(3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol
CID 99790197
4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229254
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110479175
2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432011
N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide
CID 61074103

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide (CID 51099314) is N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide is CCS(=O)(=O)c1ccc(N2CCC(NC(=O)COC)CC2)cc1.
What is the InChIKey of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide?
The InChIKey is PZAIGLNGRBOTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-23(20,21)15-6-4-14(5-7-15)18-10-8-13(9-11-18)17-16(19)12-22-2/h4-7,13H,3,8-12H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide?
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide has a molecular weight of 340.45 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 51099314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).