N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-2-methylsulfonylacetamide

C15H19Cl2NO3S — CID 13279933

IUPACN-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-2-methylsulfonylacetamide
SMILESCC(NC(=O)CS(C)(=O)=O)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C15H19Cl2NO3S/c1-10(18-14(19)9-22(2,20)21)15(6-3-7-15)11-4-5-12(16)13(17)8-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeyCNKUHGQXNMXUSH-UHFFFAOYSA-N
MW364.29 g/mol
LogP2.96
Rot. Bonds5

About N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-2-methylsulfonylacetamide

N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-2-methylsulfonylacetamide (PubChem CID 13279933) has the molecular formula C15H19Cl2NO3S and a molecular weight of 364.29 g/mol. Its IUPAC name is N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-2-methylsulfonylacetamide
PubChem CID13279933
Molecular FormulaC15H19Cl2NO3S
Molecular Weight364.29 g/mol
Exact Mass363.05
IUPAC NameN-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-2-methylsulfonylacetamide
SMILESCC(NC(=O)CS(C)(=O)=O)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C15H19Cl2NO3S/c1-10(18-14(19)9-22(2,20)21)15(6-3-7-15)11-4-5-12(16)13(17)8-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeyCNKUHGQXNMXUSH-UHFFFAOYSA-N
XLogP2.96
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 89928690
CID 89928690
CID 89928794
CID 89928794
CID 89928745
CID 89928745
CID 47461248
CID 47461248
CID 75373370
CID 75373370
CID 75424969
CID 75424969
CID 75533952
CID 75533952
CID 53602056
CID 53602056
CID 71973836
CID 71973836
CID 71974929
CID 71974929
CID 75477120
CID 75477120
CID 76316431
CID 76316431

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-2-methylsulfonylacetamide?
The IUPAC name of N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-2-methylsulfonylacetamide (CID 13279933) is N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-2-methylsulfonylacetamide.
What is the SMILES notation for N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-2-methylsulfonylacetamide?
The canonical SMILES for N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-2-methylsulfonylacetamide is CC(NC(=O)CS(C)(=O)=O)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-2-methylsulfonylacetamide?
The InChIKey is CNKUHGQXNMXUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO3S/c1-10(18-14(19)9-22(2,20)21)15(6-3-7-15)11-4-5-12(16)13(17)8-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,18,19).
What are the key properties of N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-2-methylsulfonylacetamide?
N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-2-methylsulfonylacetamide has a molecular weight of 364.29 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-2-methylsulfonylacetamide is sourced from PubChem (CID 13279933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).