2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide

C15H21ClN2O4S — CID 108561456

IUPAC2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O4S/c1-2-23(20,21)18-9-7-13(8-10-18)17-15(19)11-22-14-5-3-12(16)4-6-14/h3-6,13H,2,7-11H2,1H3,(H,17,19)
InChIKeyXVYBKKUPGKYCTP-UHFFFAOYSA-N
MW360.86 g/mol
LogP1.65
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide

2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide (PubChem CID 108561456) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
PubChem CID108561456
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O4S/c1-2-23(20,21)18-9-7-13(8-10-18)17-15(19)11-22-14-5-3-12(16)4-6-14/h3-6,13H,2,7-11H2,1H3,(H,17,19)
InChIKeyXVYBKKUPGKYCTP-UHFFFAOYSA-N
XLogP1.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-(4-chlorophenoxy)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 46467019
2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32542579
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108561476
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108561465
2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
CID 63627311
2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46419745
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 55566141

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide (CID 108561456) is 2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide is CCS(=O)(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is XVYBKKUPGKYCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-2-23(20,21)18-9-7-13(8-10-18)17-15(19)11-22-14-5-3-12(16)4-6-14/h3-6,13H,2,7-11H2,1H3,(H,17,19).
What are the key properties of 2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide?
2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 360.86 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 108561456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).