2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide

C15H21BrN2O3S — CID 43908901

IUPAC2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide
SMILESCN(C(=O)CN(c1ccccc1Br)S(C)(=O)=O)C1CCCC1
InChIInChI=1S/C15H21BrN2O3S/c1-17(12-7-3-4-8-12)15(19)11-18(22(2,20)21)14-10-6-5-9-13(14)16/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3
InChIKeyWNZZFGXTNBRGMM-UHFFFAOYSA-N
MW389.32 g/mol
LogP2.62
Rot. Bonds5

About 2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide

2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide (PubChem CID 43908901) has the molecular formula C15H21BrN2O3S and a molecular weight of 389.32 g/mol. Its IUPAC name is 2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide
PubChem CID43908901
Molecular FormulaC15H21BrN2O3S
Molecular Weight389.32 g/mol
Exact Mass388.05
IUPAC Name2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide
SMILESCN(C(=O)CN(c1ccccc1Br)S(C)(=O)=O)C1CCCC1
InChIInChI=1S/C15H21BrN2O3S/c1-17(12-7-3-4-8-12)15(19)11-18(22(2,20)21)14-10-6-5-9-13(14)16/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3
InChIKeyWNZZFGXTNBRGMM-UHFFFAOYSA-N
XLogP2.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide
CID 28575178
2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide
CID 92672264
N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 28633074
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide
CID 46770900
(2S)-2-[benzyl-[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100573335
2-[benzyl(methylsulfonyl)amino]-N-cyclohexyl-N-methylbenzamide
CID 46778449
N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide
CID 46771882
(2R)-2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100556281
2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132639042
(2S)-2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]-[(3-chlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100550659
N-(2-bromophenyl)-N-ethylmethanesulfonamide
CID 66980818
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide
CID 113153644

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide?
The IUPAC name of 2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide (CID 43908901) is 2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide.
What is the SMILES notation for 2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide?
The canonical SMILES for 2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide is CN(C(=O)CN(c1ccccc1Br)S(C)(=O)=O)C1CCCC1.
What is the InChIKey of 2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide?
The InChIKey is WNZZFGXTNBRGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3S/c1-17(12-7-3-4-8-12)15(19)11-18(22(2,20)21)14-10-6-5-9-13(14)16/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3.
What are the key properties of 2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide?
2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide has a molecular weight of 389.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide is sourced from PubChem (CID 43908901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).