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

C25H22N4O2S — CID 25157662

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-4-ylacetyl)amino]methyl]benzamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)Cc2ccncc2)cc1
InChIInChI=1S/C25H22N4O2S/c26-21-8-7-20(23-2-1-13-32-23)15-22(21)29-25(31)19-5-3-18(4-6-19)16-28-24(30)14-17-9-11-27-12-10-17/h1-13,15H,14,16,26H2,(H,28,30)(H,29,31)
InChIKeySYNRENXFZSJTTQ-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.50
Rot. Bonds7

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

N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-4-ylacetyl)amino]methyl]benzamide (PubChem CID 25157662) 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-4-ylacetyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-4-ylacetyl)amino]methyl]benzamide
PubChem CID25157662
Molecular FormulaC25H22N4O2S
Molecular Weight442.54 g/mol
Exact Mass442.15
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-4-ylacetyl)amino]methyl]benzamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)Cc2ccncc2)cc1
InChIInChI=1S/C25H22N4O2S/c26-21-8-7-20(23-2-1-13-32-23)15-22(21)29-25(31)19-5-3-18(4-6-19)16-28-24(30)14-17-9-11-27-12-10-17/h1-13,15H,14,16,26H2,(H,28,30)(H,29,31)
InChIKeySYNRENXFZSJTTQ-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-4-ylacetyl)amino]methyl]benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-4-ylacetyl)amino]methyl]benzamide (CID 25157662) is N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-4-ylacetyl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-4-ylacetyl)amino]methyl]benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-4-ylacetyl)amino]methyl]benzamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)Cc2ccncc2)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-4-ylacetyl)amino]methyl]benzamide?
The InChIKey is SYNRENXFZSJTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S/c26-21-8-7-20(23-2-1-13-32-23)15-22(21)29-25(31)19-5-3-18(4-6-19)16-28-24(30)14-17-9-11-27-12-10-17/h1-13,15H,14,16,26H2,(H,28,30)(H,29,31).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-4-ylacetyl)amino]methyl]benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-4-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-4-ylacetyl)amino]methyl]benzamide is sourced from PubChem (CID 25157662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).