N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide

C11H15BrN2O3S — CID 113071538

IUPACN-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide
SMILESCC(=O)NCCN(c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C11H15BrN2O3S/c1-9(15)13-7-8-14(18(2,16)17)11-6-4-3-5-10(11)12/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeyZFAQWUAWJQXVMY-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.35
Rot. Bonds5

About N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide

N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide (PubChem CID 113071538) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide
PubChem CID113071538
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC NameN-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide
SMILESCC(=O)NCCN(c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C11H15BrN2O3S/c1-9(15)13-7-8-14(18(2,16)17)11-6-4-3-5-10(11)12/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeyZFAQWUAWJQXVMY-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113071547
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113069155
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113072046
3-(2-bromo-N-methylsulfonylanilino)propanoic acid
CID 50890506
methyl 2-[2-acetamidoethyl(methylsulfonyl)amino]benzoate
CID 113071138
ethyl 2-[2-acetamidoethyl(methylsulfonyl)amino]benzoate
CID 113072126
4-(2-bromo-N-methylsulfonylanilino)butanoic acid
CID 50890507
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide
CID 113071737
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068765
N-(2-bromophenyl)-N-ethylmethanesulfonamide
CID 66980818
2-(2-bromo-N-methylsulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide
CID 2286940
2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide
CID 47409304

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide?
The IUPAC name of N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide (CID 113071538) is N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide is CC(=O)NCCN(c1ccccc1Br)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide?
The InChIKey is ZFAQWUAWJQXVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-9(15)13-7-8-14(18(2,16)17)11-6-4-3-5-10(11)12/h3-6H,7-8H2,1-2H3,(H,13,15).
What are the key properties of N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide?
N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide has a molecular weight of 335.22 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide is sourced from PubChem (CID 113071538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).