2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide

C21H25ClN2O4S — CID 4090474

IUPAC2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-2-17-7-5-6-14-24(17)29(26,27)18-12-10-16(11-13-18)23-21(25)15-28-20-9-4-3-8-19(20)22/h3-4,8-13,17H,2,5-7,14-15H2,1H3,(H,23,25)
InChIKeyNJJPIZXRIKVTPC-UHFFFAOYSA-N
MW436.96 g/mol
LogP4.31
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide

2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 4090474) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID4090474
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-2-17-7-5-6-14-24(17)29(26,27)18-12-10-16(11-13-18)23-21(25)15-28-20-9-4-3-8-19(20)22/h3-4,8-13,17H,2,5-7,14-15H2,1H3,(H,23,25)
InChIKeyNJJPIZXRIKVTPC-UHFFFAOYSA-N
XLogP4.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 5169215
2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 28962638
3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17147787
2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 27012752
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393
2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1014094
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide
CID 17256826
(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 92660341
2-(2-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 4924223
2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066658
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
2-(3,4-dimethoxyphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 2988784

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide (CID 4090474) is 2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide is CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is NJJPIZXRIKVTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-2-17-7-5-6-14-24(17)29(26,27)18-12-10-16(11-13-18)23-21(25)15-28-20-9-4-3-8-19(20)22/h3-4,8-13,17H,2,5-7,14-15H2,1H3,(H,23,25).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide?
2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 436.96 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 4090474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).