2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide

C15H21ClN2O4S — CID 27161142

IUPAC2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O4S/c1-2-17-15(19)11-22-14-7-6-12(10-13(14)16)23(20,21)18-8-4-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,19)
InChIKeyHUMPSKFHZQRRLO-UHFFFAOYSA-N
MW360.86 g/mol
LogP2.03
Rot. Bonds6

About 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide

2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide (PubChem CID 27161142) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide
PubChem CID27161142
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O4S/c1-2-17-15(19)11-22-14-7-6-12(10-13(14)16)23(20,21)18-8-4-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,19)
InChIKeyHUMPSKFHZQRRLO-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 3306707
N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 5104659
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100800412
N-[(2-chlorophenyl)methyl]-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 3993771
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1250198
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4667285
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 126394799
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 3950701
2-(2-chloro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82921286
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 2989290
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 5124062
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide
CID 28556016

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide?
The IUPAC name of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide (CID 27161142) is 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide.
What is the SMILES notation for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide?
The canonical SMILES for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide is CCNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide?
The InChIKey is HUMPSKFHZQRRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-2-17-15(19)11-22-14-7-6-12(10-13(14)16)23(20,21)18-8-4-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,19).
What are the key properties of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide?
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide has a molecular weight of 360.86 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide is sourced from PubChem (CID 27161142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).