4-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide

C21H21N3O4S — CID 9117858

IUPAC4-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccncc3)cc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-2-28-19-7-9-20(10-8-19)29(26,27)24-18-5-3-17(4-6-18)21(25)23-15-16-11-13-22-14-12-16/h3-14,24H,2,15H2,1H3,(H,23,25)
InChIKeyMLABFNIGFSPQEH-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.21
Rot. Bonds8

About 4-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide

4-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 9117858) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID9117858
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name4-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccncc3)cc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-2-28-19-7-9-20(10-8-19)29(26,27)24-18-5-3-17(4-6-18)21(25)23-15-16-11-13-22-14-12-16/h3-14,24H,2,15H2,1H3,(H,23,25)
InChIKeyMLABFNIGFSPQEH-UHFFFAOYSA-N
XLogP3.21
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide 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 4-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide (CID 9117858) is 4-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccncc3)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is MLABFNIGFSPQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-2-28-19-7-9-20(10-8-19)29(26,27)24-18-5-3-17(4-6-18)21(25)23-15-16-11-13-22-14-12-16/h3-14,24H,2,15H2,1H3,(H,23,25).
What are the key properties of 4-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide?
4-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 411.48 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 9117858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).