2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide

C16H23BrN2O3S — CID 92672264

IUPAC2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C16H23BrN2O3S/c1-18(14-6-4-3-5-7-14)16(20)12-19(23(2,21)22)15-10-8-13(17)9-11-15/h8-11,14H,3-7,12H2,1-2H3
InChIKeyKUMXULRLJJYLCH-UHFFFAOYSA-N
MW403.34 g/mol
LogP3.01
Rot. Bonds5

About 2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide

2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide (PubChem CID 92672264) has the molecular formula C16H23BrN2O3S and a molecular weight of 403.34 g/mol. Its IUPAC name is 2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide
PubChem CID92672264
Molecular FormulaC16H23BrN2O3S
Molecular Weight403.34 g/mol
Exact Mass402.06
IUPAC Name2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C16H23BrN2O3S/c1-18(14-6-4-3-5-7-14)16(20)12-19(23(2,21)22)15-10-8-13(17)9-11-15/h8-11,14H,3-7,12H2,1-2H3
InChIKeyKUMXULRLJJYLCH-UHFFFAOYSA-N
XLogP3.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-cyclopentyl-N-methylacetamide
CID 28633740
2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide
CID 43908901
N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide
CID 46771882
N-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide
CID 46764756
N-(4-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 1097974
2-(2-chloro-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide
CID 28575178
N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 28633074
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate
CID 50890872
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide
CID 26565810
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide
CID 42979745

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide (CID 92672264) is 2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide is CN(C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)C1CCCCC1.
What is the InChIKey of 2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide?
The InChIKey is KUMXULRLJJYLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3S/c1-18(14-6-4-3-5-7-14)16(20)12-19(23(2,21)22)15-10-8-13(17)9-11-15/h8-11,14H,3-7,12H2,1-2H3.
What are the key properties of 2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide?
2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide has a molecular weight of 403.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 92672264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).