2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide

C16H24N2O5S — CID 47909972

IUPAC2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
SMILESCCOc1ccc(OCC(=O)NC2CCCN(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C16H24N2O5S/c1-3-22-14-6-8-15(9-7-14)23-12-16(19)17-13-5-4-10-18(11-13)24(2,20)21/h6-9,13H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyZEQPJTWGEAIRNW-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.00
Rot. Bonds7

About 2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide

2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide (PubChem CID 47909972) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
PubChem CID47909972
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
SMILESCCOc1ccc(OCC(=O)NC2CCCN(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C16H24N2O5S/c1-3-22-14-6-8-15(9-7-14)23-12-16(19)17-13-5-4-10-18(11-13)24(2,20)21/h6-9,13H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyZEQPJTWGEAIRNW-UHFFFAOYSA-N
XLogP1.00
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 47910347
2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47403795
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47910189
2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46419745
2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108561456
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47909871
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide
CID 108562193
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108557001
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43975778

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide (CID 47909972) is 2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide is CCOc1ccc(OCC(=O)NC2CCCN(S(C)(=O)=O)C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide?
The InChIKey is ZEQPJTWGEAIRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-3-22-14-6-8-15(9-7-14)23-12-16(19)17-13-5-4-10-18(11-13)24(2,20)21/h6-9,13H,3-5,10-12H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide?
2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide has a molecular weight of 356.44 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide is sourced from PubChem (CID 47909972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).