3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-butyl-N-methylpropanamide

C13H21BrN4O3S — CID 46272046

IUPAC3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-butyl-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H21BrN4O3S/c1-3-4-7-18(2)12(19)5-6-17-22(20,21)11-8-10(14)9-16-13(11)15/h8-9,17H,3-7H2,1-2H3,(H2,15,16)
InChIKeyKAGKSQYOPWJZKC-UHFFFAOYSA-N
MW393.31 g/mol
LogP1.35
Rot. Bonds8

About 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-butyl-N-methylpropanamide

3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-butyl-N-methylpropanamide (PubChem CID 46272046) has the molecular formula C13H21BrN4O3S and a molecular weight of 393.31 g/mol. Its IUPAC name is 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-butyl-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-butyl-N-methylpropanamide
PubChem CID46272046
Molecular FormulaC13H21BrN4O3S
Molecular Weight393.31 g/mol
Exact Mass392.05
IUPAC Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-butyl-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H21BrN4O3S/c1-3-4-7-18(2)12(19)5-6-17-22(20,21)11-8-10(14)9-16-13(11)15/h8-9,17H,3-7H2,1-2H3,(H2,15,16)
InChIKeyKAGKSQYOPWJZKC-UHFFFAOYSA-N
XLogP1.35
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-butyl-N-methylpropanamide 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 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-butyl-N-methylpropanamide?
The IUPAC name of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-butyl-N-methylpropanamide (CID 46272046) is 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-butyl-N-methylpropanamide.
What is the SMILES notation for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-butyl-N-methylpropanamide?
The canonical SMILES for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-butyl-N-methylpropanamide is CCCCN(C)C(=O)CCNS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-butyl-N-methylpropanamide?
The InChIKey is KAGKSQYOPWJZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O3S/c1-3-4-7-18(2)12(19)5-6-17-22(20,21)11-8-10(14)9-16-13(11)15/h8-9,17H,3-7H2,1-2H3,(H2,15,16).
What are the key properties of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-butyl-N-methylpropanamide?
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-butyl-N-methylpropanamide has a molecular weight of 393.31 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-butyl-N-methylpropanamide is sourced from PubChem (CID 46272046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).