2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide

C14H18Cl2N2O4S — CID 47910189

IUPAC2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)COc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H18Cl2N2O4S/c1-23(20,21)18-6-2-3-11(8-18)17-14(19)9-22-13-5-4-10(15)7-12(13)16/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,19)
InChIKeyWSRRLBZPVJUJCJ-UHFFFAOYSA-N
MW381.28 g/mol
LogP1.91
Rot. Bonds5

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

2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide (PubChem CID 47910189) has the molecular formula C14H18Cl2N2O4S and a molecular weight of 381.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
PubChem CID47910189
Molecular FormulaC14H18Cl2N2O4S
Molecular Weight381.28 g/mol
Exact Mass380.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)COc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H18Cl2N2O4S/c1-23(20,21)18-6-2-3-11(8-18)17-14(19)9-22-13-5-4-10(15)7-12(13)16/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,19)
InChIKeyWSRRLBZPVJUJCJ-UHFFFAOYSA-N
XLogP1.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 55566141
3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide
CID 47910340
2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47909972
2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47403795
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 4286317
N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 47910347
2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
CID 108553385
2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide
CID 27241017
2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108561076
2-(2,4-dichlorophenoxy)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 5024260
2-(2,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385688
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3987255

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide (CID 47910189) is 2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide is CS(=O)(=O)N1CCCC(NC(=O)COc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide?
The InChIKey is WSRRLBZPVJUJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O4S/c1-23(20,21)18-6-2-3-11(8-18)17-14(19)9-22-13-5-4-10(15)7-12(13)16/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,19).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide has a molecular weight of 381.28 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide is sourced from PubChem (CID 47910189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).