N-[3-(4-chlorophenyl)cyclobutyl]-2-[4-(ethylsulfamoyl)phenyl]acetamide

C20H23ClN2O3S — CID 166222395

IUPACN-[3-(4-chlorophenyl)cyclobutyl]-2-[4-(ethylsulfamoyl)phenyl]acetamide
SMILESCCNS(=O)(=O)c1ccc(CC(=O)NC2CC(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-2-22-27(25,26)19-9-3-14(4-10-19)11-20(24)23-18-12-16(13-18)15-5-7-17(21)8-6-15/h3-10,16,18,22H,2,11-13H2,1H3,(H,23,24)
InChIKeyNOKWLBSHOIIUFJ-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.24
Rot. Bonds7

About N-[3-(4-chlorophenyl)cyclobutyl]-2-[4-(ethylsulfamoyl)phenyl]acetamide

N-[3-(4-chlorophenyl)cyclobutyl]-2-[4-(ethylsulfamoyl)phenyl]acetamide (PubChem CID 166222395) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)cyclobutyl]-2-[4-(ethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)cyclobutyl]-2-[4-(ethylsulfamoyl)phenyl]acetamide
PubChem CID166222395
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC NameN-[3-(4-chlorophenyl)cyclobutyl]-2-[4-(ethylsulfamoyl)phenyl]acetamide
SMILESCCNS(=O)(=O)c1ccc(CC(=O)NC2CC(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-2-22-27(25,26)19-9-3-14(4-10-19)11-20(24)23-18-12-16(13-18)15-5-7-17(21)8-6-15/h3-10,16,18,22H,2,11-13H2,1H3,(H,23,24)
InChIKeyNOKWLBSHOIIUFJ-UHFFFAOYSA-N
XLogP3.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide
CID 43453946
N-cyclohex-2-en-1-yl-2-[4-(ethylsulfamoyl)phenyl]acetamide
CID 86791122
N-[3-(4-chlorophenyl)cyclobutyl]-2-cyanoacetamide
CID 166222343
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4143935
3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661
N-ethyl-2-[4-(ethylsulfamoyl)phenyl]-N-methylacetamide
CID 75522415
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride
CID 119821871
4-[3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-N-ethylbenzenesulfonamide
CID 86962238
N-ethyl-4-(methylaminomethyl)benzenesulfonamide
CID 60821797
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)acetamide
CID 166208857
2-[4-(ethylsulfamoyl)phenyl]-N-(2-methylphenyl)acetamide
CID 75506253

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)cyclobutyl]-2-[4-(ethylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)cyclobutyl]-2-[4-(ethylsulfamoyl)phenyl]acetamide (CID 166222395) is N-[3-(4-chlorophenyl)cyclobutyl]-2-[4-(ethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)cyclobutyl]-2-[4-(ethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)cyclobutyl]-2-[4-(ethylsulfamoyl)phenyl]acetamide is CCNS(=O)(=O)c1ccc(CC(=O)NC2CC(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)cyclobutyl]-2-[4-(ethylsulfamoyl)phenyl]acetamide?
The InChIKey is NOKWLBSHOIIUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-2-22-27(25,26)19-9-3-14(4-10-19)11-20(24)23-18-12-16(13-18)15-5-7-17(21)8-6-15/h3-10,16,18,22H,2,11-13H2,1H3,(H,23,24).
What are the key properties of N-[3-(4-chlorophenyl)cyclobutyl]-2-[4-(ethylsulfamoyl)phenyl]acetamide?
N-[3-(4-chlorophenyl)cyclobutyl]-2-[4-(ethylsulfamoyl)phenyl]acetamide has a molecular weight of 406.94 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)cyclobutyl]-2-[4-(ethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 166222395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).