2-(2-cyclohexyl-2-oxoethoxy)-N,N,5-trimethylbenzenesulfonamide

C17H25NO4S — CID 47058834

IUPAC2-(2-cyclohexyl-2-oxoethoxy)-N,N,5-trimethylbenzenesulfonamide
SMILESCc1ccc(OCC(=O)C2CCCCC2)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H25NO4S/c1-13-9-10-16(17(11-13)23(20,21)18(2)3)22-12-15(19)14-7-5-4-6-8-14/h9-11,14H,4-8,12H2,1-3H3
InChIKeyNNTVAGFPHOPSJC-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.77
Rot. Bonds6

About 2-(2-cyclohexyl-2-oxoethoxy)-N,N,5-trimethylbenzenesulfonamide

2-(2-cyclohexyl-2-oxoethoxy)-N,N,5-trimethylbenzenesulfonamide (PubChem CID 47058834) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-(2-cyclohexyl-2-oxoethoxy)-N,N,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-cyclohexyl-2-oxoethoxy)-N,N,5-trimethylbenzenesulfonamide
PubChem CID47058834
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name2-(2-cyclohexyl-2-oxoethoxy)-N,N,5-trimethylbenzenesulfonamide
SMILESCc1ccc(OCC(=O)C2CCCCC2)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H25NO4S/c1-13-9-10-16(17(11-13)23(20,21)18(2)3)22-12-15(19)14-7-5-4-6-8-14/h9-11,14H,4-8,12H2,1-3H3
InChIKeyNNTVAGFPHOPSJC-UHFFFAOYSA-N
XLogP2.77
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone
CID 104752067
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
CID 80601651
1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone
CID 113220137
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclohex-3-ene-1-carboxamide
CID 51212890
5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride
CID 82911716
2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride
CID 82910026
1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone
CID 103988434
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide
CID 8849768
2-(2-chloro-4-fluorophenoxy)-1-cyclohexylethanone
CID 115578096
2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104705269
5-bromo-2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
CID 115776936

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-2-oxoethoxy)-N,N,5-trimethylbenzenesulfonamide?
The IUPAC name of 2-(2-cyclohexyl-2-oxoethoxy)-N,N,5-trimethylbenzenesulfonamide (CID 47058834) is 2-(2-cyclohexyl-2-oxoethoxy)-N,N,5-trimethylbenzenesulfonamide.
What is the SMILES notation for 2-(2-cyclohexyl-2-oxoethoxy)-N,N,5-trimethylbenzenesulfonamide?
The canonical SMILES for 2-(2-cyclohexyl-2-oxoethoxy)-N,N,5-trimethylbenzenesulfonamide is Cc1ccc(OCC(=O)C2CCCCC2)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-(2-cyclohexyl-2-oxoethoxy)-N,N,5-trimethylbenzenesulfonamide?
The InChIKey is NNTVAGFPHOPSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-13-9-10-16(17(11-13)23(20,21)18(2)3)22-12-15(19)14-7-5-4-6-8-14/h9-11,14H,4-8,12H2,1-3H3.
What are the key properties of 2-(2-cyclohexyl-2-oxoethoxy)-N,N,5-trimethylbenzenesulfonamide?
2-(2-cyclohexyl-2-oxoethoxy)-N,N,5-trimethylbenzenesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-2-oxoethoxy)-N,N,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 47058834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).