2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide

C20H19N3O4S — CID 1243342

IUPAC2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCc1cccnc1
InChIInChI=1S/C20H19N3O4S/c24-20(22-14-16-5-4-12-21-13-16)15-27-18-8-10-19(11-9-18)28(25,26)23-17-6-2-1-3-7-17/h1-13,23H,14-15H2,(H,22,24)
InChIKeyJDYCFHXGNBZVTM-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.58
Rot. Bonds8

About 2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide

2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 1243342) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID1243342
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCc1cccnc1
InChIInChI=1S/C20H19N3O4S/c24-20(22-14-16-5-4-12-21-13-16)15-27-18-8-10-19(11-9-18)28(25,26)23-17-6-2-1-3-7-17/h1-13,23H,14-15H2,(H,22,24)
InChIKeyJDYCFHXGNBZVTM-UHFFFAOYSA-N
XLogP2.58
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide 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-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide (CID 1243342) is 2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide is O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCc1cccnc1.
What is the InChIKey of 2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is JDYCFHXGNBZVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c24-20(22-14-16-5-4-12-21-13-16)15-27-18-8-10-19(11-9-18)28(25,26)23-17-6-2-1-3-7-17/h1-13,23H,14-15H2,(H,22,24).
What are the key properties of 2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 397.46 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 1243342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).