2-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide

C18H26N2O6S — CID 90592562

IUPAC2-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCCOc1ccc(OCC(=O)N2CCC(S(=O)(=O)CC(=O)NC)CC2)cc1
InChIInChI=1S/C18H26N2O6S/c1-3-25-14-4-6-15(7-5-14)26-12-18(22)20-10-8-16(9-11-20)27(23,24)13-17(21)19-2/h4-7,16H,3,8-13H2,1-2H3,(H,19,21)
InChIKeyXZOCSZQGADWZTA-UHFFFAOYSA-N
MW398.48 g/mol
LogP0.62
Rot. Bonds8

About 2-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide

2-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide (PubChem CID 90592562) has the molecular formula C18H26N2O6S and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
PubChem CID90592562
Molecular FormulaC18H26N2O6S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC Name2-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCCOc1ccc(OCC(=O)N2CCC(S(=O)(=O)CC(=O)NC)CC2)cc1
InChIInChI=1S/C18H26N2O6S/c1-3-25-14-4-6-15(7-5-14)26-12-18(22)20-10-8-16(9-11-20)27(23,24)13-17(21)19-2/h4-7,16H,3,8-13H2,1-2H3,(H,19,21)
InChIKeyXZOCSZQGADWZTA-UHFFFAOYSA-N
XLogP0.62
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592560
2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592550
2-[1-(4-butoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592559
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108566444
2-[1-[4-(2-methoxyethoxy)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592646
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
2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31688394
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-phenylacetamide
CID 108551305
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
2-(4-ethoxyphenyl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553966

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
The IUPAC name of 2-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide (CID 90592562) is 2-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
The canonical SMILES for 2-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide is CCOc1ccc(OCC(=O)N2CCC(S(=O)(=O)CC(=O)NC)CC2)cc1.
What is the InChIKey of 2-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
The InChIKey is XZOCSZQGADWZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6S/c1-3-25-14-4-6-15(7-5-14)26-12-18(22)20-10-8-16(9-11-20)27(23,24)13-17(21)19-2/h4-7,16H,3,8-13H2,1-2H3,(H,19,21).
What are the key properties of 2-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
2-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide has a molecular weight of 398.48 g/mol, XLogP of 0.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide is sourced from PubChem (CID 90592562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).