2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide

C15H22N2O4S — CID 166179095

IUPAC2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCCOc1cccc(S(=O)(=O)N2CCC(CC(N)=O)CC2)c1
InChIInChI=1S/C15H22N2O4S/c1-2-21-13-4-3-5-14(11-13)22(19,20)17-8-6-12(7-9-17)10-15(16)18/h3-5,11-12H,2,6-10H2,1H3,(H2,16,18)
InChIKeyNAAWFFSGCHXFOO-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.36
Rot. Bonds6

About 2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide

2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 166179095) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide
PubChem CID166179095
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCCOc1cccc(S(=O)(=O)N2CCC(CC(N)=O)CC2)c1
InChIInChI=1S/C15H22N2O4S/c1-2-21-13-4-3-5-14(11-13)22(19,20)17-8-6-12(7-9-17)10-15(16)18/h3-5,11-12H,2,6-10H2,1H3,(H2,16,18)
InChIKeyNAAWFFSGCHXFOO-UHFFFAOYSA-N
XLogP1.36
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 141152893
2-[3-(4-aminopiperidin-1-yl)sulfonylphenoxy]ethyl carbamate
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CID 25252531
3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide
CID 119990219
1-(3-ethoxyphenyl)sulfonylpiperidine-2-carboxylic acid
CID 120728800
1-(3-ethoxyphenyl)sulfonyl-1,4-diazepane;hydrochloride
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N-[(3-ethoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 53285618
1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94002807
ethyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 3816303
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61068404
(3-acetylphenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 18287959
1-(3-ethoxyphenyl)sulfonyl-2,2-dimethylpiperidine-4-carboxylic acid
CID 166289237

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide (CID 166179095) is 2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide is CCOc1cccc(S(=O)(=O)N2CCC(CC(N)=O)CC2)c1.
What is the InChIKey of 2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is NAAWFFSGCHXFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-2-21-13-4-3-5-14(11-13)22(19,20)17-8-6-12(7-9-17)10-15(16)18/h3-5,11-12H,2,6-10H2,1H3,(H2,16,18).
What are the key properties of 2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide?
2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 326.42 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 166179095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).