2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide

C13H19BrN2O3S — CID 2223390

IUPAC2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
SMILESCc1cc(N(CC(=O)NC(C)C)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C13H19BrN2O3S/c1-9(2)15-13(17)8-16(20(4,18)19)11-5-6-12(14)10(3)7-11/h5-7,9H,8H2,1-4H3,(H,15,17)
InChIKeySJFZYZOAPACKDE-UHFFFAOYSA-N
MW363.28 g/mol
LogP2.05
Rot. Bonds5

About 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide

2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide (PubChem CID 2223390) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
PubChem CID2223390
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
SMILESCc1cc(N(CC(=O)NC(C)C)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C13H19BrN2O3S/c1-9(2)15-13(17)8-16(20(4,18)19)11-5-6-12(14)10(3)7-11/h5-7,9H,8H2,1-4H3,(H,15,17)
InChIKeySJFZYZOAPACKDE-UHFFFAOYSA-N
XLogP2.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide (CID 2223390) is 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide is Cc1cc(N(CC(=O)NC(C)C)S(C)(=O)=O)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide?
The InChIKey is SJFZYZOAPACKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-9(2)15-13(17)8-16(20(4,18)19)11-5-6-12(14)10(3)7-11/h5-7,9H,8H2,1-4H3,(H,15,17).
What are the key properties of 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide?
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide has a molecular weight of 363.28 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 2223390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).