2-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide

C15H17N3O3S — CID 725117

IUPAC2-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C15H17N3O3S/c1-11(2)15(19)17-12-6-8-13(9-7-12)22(20,21)18-14-5-3-4-10-16-14/h3-11H,1-2H3,(H,16,18)(H,17,19)
InChIKeyDUXFKGAYCFCRJI-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.48
Rot. Bonds5

About 2-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide

2-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 725117) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID725117
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C15H17N3O3S/c1-11(2)15(19)17-12-6-8-13(9-7-12)22(20,21)18-14-5-3-4-10-16-14/h3-11H,1-2H3,(H,16,18)(H,17,19)
InChIKeyDUXFKGAYCFCRJI-UHFFFAOYSA-N
XLogP2.48
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide 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-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide (CID 725117) is 2-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide is CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 2-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is DUXFKGAYCFCRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-11(2)15(19)17-12-6-8-13(9-7-12)22(20,21)18-14-5-3-4-10-16-14/h3-11H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
2-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 319.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 725117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).