N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-3-ylacetyl)amino]methyl]benzamide

C25H22N4O2S — CID 59627356

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-3-ylacetyl)amino]methyl]benzamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)Cc2cccnc2)cc1
InChIInChI=1S/C25H22N4O2S/c26-21-10-9-20(23-4-2-12-32-23)14-22(21)29-25(31)19-7-5-17(6-8-19)16-28-24(30)13-18-3-1-11-27-15-18/h1-12,14-15H,13,16,26H2,(H,28,30)(H,29,31)
InChIKeyWCSRFHVRUXJOEJ-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.50
Rot. Bonds7

About N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-3-ylacetyl)amino]methyl]benzamide

N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-3-ylacetyl)amino]methyl]benzamide (PubChem CID 59627356) has the molecular formula C25H22N4O2S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-3-ylacetyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-3-ylacetyl)amino]methyl]benzamide
PubChem CID59627356
Molecular FormulaC25H22N4O2S
Molecular Weight442.54 g/mol
Exact Mass442.15
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-3-ylacetyl)amino]methyl]benzamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)Cc2cccnc2)cc1
InChIInChI=1S/C25H22N4O2S/c26-21-10-9-20(23-4-2-12-32-23)14-22(21)29-25(31)19-7-5-17(6-8-19)16-28-24(30)13-18-3-1-11-27-15-18/h1-12,14-15H,13,16,26H2,(H,28,30)(H,29,31)
InChIKeyWCSRFHVRUXJOEJ-UHFFFAOYSA-N
XLogP4.50
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-3-ylacetyl)amino]methyl]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 N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-3-ylacetyl)amino]methyl]benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-3-ylacetyl)amino]methyl]benzamide (CID 59627356) is N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-3-ylacetyl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-3-ylacetyl)amino]methyl]benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-3-ylacetyl)amino]methyl]benzamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)Cc2cccnc2)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-3-ylacetyl)amino]methyl]benzamide?
The InChIKey is WCSRFHVRUXJOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S/c26-21-10-9-20(23-4-2-12-32-23)14-22(21)29-25(31)19-7-5-17(6-8-19)16-28-24(30)13-18-3-1-11-27-15-18/h1-12,14-15H,13,16,26H2,(H,28,30)(H,29,31).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-3-ylacetyl)amino]methyl]benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-3-ylacetyl)amino]methyl]benzamide has a molecular weight of 442.54 g/mol, XLogP of 4.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-3-ylacetyl)amino]methyl]benzamide is sourced from PubChem (CID 59627356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).