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

C25H22N4O2S — CID 25157661

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-2-ylacetyl)amino]methyl]benzamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)Cc2ccccn2)cc1
InChIInChI=1S/C25H22N4O2S/c26-21-11-10-19(23-5-3-13-32-23)14-22(21)29-25(31)18-8-6-17(7-9-18)16-28-24(30)15-20-4-1-2-12-27-20/h1-14H,15-16,26H2,(H,28,30)(H,29,31)
InChIKeyBVVSBLLOVAAAOJ-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.50
Rot. Bonds7

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

N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-2-ylacetyl)amino]methyl]benzamide (PubChem CID 25157661) 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-2-ylacetyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-2-ylacetyl)amino]methyl]benzamide
PubChem CID25157661
Molecular FormulaC25H22N4O2S
Molecular Weight442.54 g/mol
Exact Mass442.15
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-2-ylacetyl)amino]methyl]benzamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)Cc2ccccn2)cc1
InChIInChI=1S/C25H22N4O2S/c26-21-11-10-19(23-5-3-13-32-23)14-22(21)29-25(31)18-8-6-17(7-9-18)16-28-24(30)15-20-4-1-2-12-27-20/h1-14H,15-16,26H2,(H,28,30)(H,29,31)
InChIKeyBVVSBLLOVAAAOJ-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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Related Compounds

N-(2-Aminophenyl)-4-(1-(2-(3-thienyl)ethyl)-1H-1,2,3-triazol-4-yl)benzamide
CID 71721946
7-[(4-Methylpiperazin-1-yl)carbonyl]-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10194805
N-[2-amino-5-(thiophen-2-yl)phenyl]quinoxaline-6-carboxamide
CID 11393847
7-(Piperidin-1-ylcarbonyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 22638596
N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-7-carboxamide
CID 23527337
(Pyridin-3-yl)methyl 4-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)benzylcarbamate
CID 23648260
N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 25023854
N-(5-((4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)carbamoyl)-2-methylphenyl)-5-(thiophen-2-yl)pyridine-3-carboxamide (6)
CID 42628503
N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
CID 44454416
N-(2-amino-5-(thiazol-2-yl)phenyl)benzamide
CID 46887333
N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
CID 5236771
N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 1511238

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-2-ylacetyl)amino]methyl]benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-2-ylacetyl)amino]methyl]benzamide (CID 25157661) is N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-2-ylacetyl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-2-ylacetyl)amino]methyl]benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-2-ylacetyl)amino]methyl]benzamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)Cc2ccccn2)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-2-ylacetyl)amino]methyl]benzamide?
The InChIKey is BVVSBLLOVAAAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S/c26-21-11-10-19(23-5-3-13-32-23)14-22(21)29-25(31)18-8-6-17(7-9-18)16-28-24(30)15-20-4-1-2-12-27-20/h1-14H,15-16,26H2,(H,28,30)(H,29,31).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-2-ylacetyl)amino]methyl]benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-2-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-2-ylacetyl)amino]methyl]benzamide is sourced from PubChem (CID 25157661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).