2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide

C13H18Br2N2O3S — CID 80711575

IUPAC2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C13H18Br2N2O3S/c1-3-4-5-17(8-13(16)18)21(19,20)12-7-10(14)9(2)6-11(12)15/h6-7H,3-5,8H2,1-2H3,(H2,16,18)
InChIKeyOPCLNBNVSHMXGQ-UHFFFAOYSA-N
MW442.17 g/mol
LogP2.80
Rot. Bonds7

About 2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide

2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide (PubChem CID 80711575) has the molecular formula C13H18Br2N2O3S and a molecular weight of 442.17 g/mol. Its IUPAC name is 2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide
PubChem CID80711575
Molecular FormulaC13H18Br2N2O3S
Molecular Weight442.17 g/mol
Exact Mass439.94
IUPAC Name2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C13H18Br2N2O3S/c1-3-4-5-17(8-13(16)18)21(19,20)12-7-10(14)9(2)6-11(12)15/h6-7H,3-5,8H2,1-2H3,(H2,16,18)
InChIKeyOPCLNBNVSHMXGQ-UHFFFAOYSA-N
XLogP2.80
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.17
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]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

2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
CID 47318380
2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide
CID 61106635
2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 47064825
4-[(2-amino-2-oxoethyl)-propylsulfamoyl]-3-bromobenzoic acid
CID 136544396
2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
CID 47204425
2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide
CID 61072716
2-[(2,5-dibromo-4-methylphenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide
CID 81327073
2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 61105509
2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide
CID 55702921
2-[(3-amino-5-methylphenyl)sulfonyl-butylamino]acetamide
CID 61107191
2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide
CID 106919288
2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide
CID 50876814

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide (CID 80711575) is 2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide is CCCCN(CC(N)=O)S(=O)(=O)c1cc(Br)c(C)cc1Br.
What is the InChIKey of 2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is OPCLNBNVSHMXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O3S/c1-3-4-5-17(8-13(16)18)21(19,20)12-7-10(14)9(2)6-11(12)15/h6-7H,3-5,8H2,1-2H3,(H2,16,18).
What are the key properties of 2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide?
2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 442.17 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 80711575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).