3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide

C17H21N3O3S — CID 3161025

IUPAC3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-20-24(22,23)16-8-5-14(6-9-16)7-10-17(21)19-13-15-4-3-11-18-12-15/h3-6,8-9,11-12,20H,2,7,10,13H2,1H3,(H,19,21)
InChIKeyIVYLNCILBGJIJA-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.63
Rot. Bonds8

About 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide

3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 3161025) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID3161025
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-20-24(22,23)16-8-5-14(6-9-16)7-10-17(21)19-13-15-4-3-11-18-12-15/h3-6,8-9,11-12,20H,2,7,10,13H2,1H3,(H,19,21)
InChIKeyIVYLNCILBGJIJA-UHFFFAOYSA-N
XLogP1.63
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)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 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide (CID 3161025) is 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide is CCNS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is IVYLNCILBGJIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-20-24(22,23)16-8-5-14(6-9-16)7-10-17(21)19-13-15-4-3-11-18-12-15/h3-6,8-9,11-12,20H,2,7,10,13H2,1H3,(H,19,21).
What are the key properties of 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 347.44 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 3161025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).