2-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-2-methylpropanamide

C18H20ClNO4S — CID 155561619

IUPAC2-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCCOc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20ClNO4S/c1-18(2,25(22,23)16-6-4-3-5-7-16)17(21)20-12-13-24-15-10-8-14(19)9-11-15/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyQULUYKJCJBEJLS-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.09
Rot. Bonds7

About 2-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-2-methylpropanamide

2-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-2-methylpropanamide (PubChem CID 155561619) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-2-methylpropanamide
PubChem CID155561619
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name2-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCCOc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20ClNO4S/c1-18(2,25(22,23)16-6-4-3-5-7-16)17(21)20-12-13-24-15-10-8-14(19)9-11-15/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyQULUYKJCJBEJLS-UHFFFAOYSA-N
XLogP3.09
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(4-Chloro-phenoxy)-ethyl]-(3-phenylsulfanyl-propyl)-amine
CID 10615787
3-(benzenesulfonyl)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 2525191
N-[2-(4-chlorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 9171522
2-(4-chlorophenoxy)-N-[2-(phenylthio)ethyl]acetamide
CID 2283889
N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 155544180
2-(4-chlorophenoxy)-N-[2-(4-fluorobenzenesulfonyl)-2-(thiophen-2-yl)ethyl]acetamide
CID 16032132
N-[2-(4-chlorophenoxy)ethyl]-2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 155518764
2-(benzenesulfonyl)-N-[2-(2-chlorophenoxy)ethyl]-2-methylpropanamide
CID 155544182
2-(benzenesulfonyl)-2-methyl-N-(2-phenoxyethyl)propanamide
CID 155561831
2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
CID 2851984
2-(4-chlorophenoxy)-N-[2-(4-methoxybenzenesulfonyl)-2-(thiophen-2-yl)ethyl]acetamide
CID 20962792
N-(2-phenoxyethyl)-3-(phenylthio)propanamide
CID 30865798

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-2-methylpropanamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-2-methylpropanamide (CID 155561619) is 2-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-2-methylpropanamide is CC(C)(C(=O)NCCOc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-2-methylpropanamide?
The InChIKey is QULUYKJCJBEJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-18(2,25(22,23)16-6-4-3-5-7-16)17(21)20-12-13-24-15-10-8-14(19)9-11-15/h3-11H,12-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-2-methylpropanamide?
2-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-2-methylpropanamide has a molecular weight of 381.88 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-2-methylpropanamide is sourced from PubChem (CID 155561619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).