N-formyl-2-[(E)-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]methyl]-4-thiophen-3-ylbenzamide

C25H26N4O2S — CID 89347102

IUPACN-formyl-2-[(E)-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]methyl]-4-thiophen-3-ylbenzamide
SMILESO=CNC(=O)c1ccc(-c2ccsc2)cc1/C=N/Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C25H26N4O2S/c30-18-26-25(31)24-9-6-20(21-10-13-32-17-21)14-22(24)15-27-28-23-7-4-19(5-8-23)16-29-11-2-1-3-12-29/h4-10,13-15,17-18,28H,1-3,11-12,16H2,(H,26,30,31)/b27-15+
InChIKeyIYKKPYRMDORTCV-JFLMPSFJSA-N
MW446.58 g/mol
LogP4.73
Rot. Bonds8

About N-formyl-2-[(E)-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]methyl]-4-thiophen-3-ylbenzamide

N-formyl-2-[(E)-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]methyl]-4-thiophen-3-ylbenzamide (PubChem CID 89347102) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is N-formyl-2-[(E)-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]methyl]-4-thiophen-3-ylbenzamide.

Molecular Properties

Compound NameN-formyl-2-[(E)-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]methyl]-4-thiophen-3-ylbenzamide
PubChem CID89347102
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC NameN-formyl-2-[(E)-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]methyl]-4-thiophen-3-ylbenzamide
SMILESO=CNC(=O)c1ccc(-c2ccsc2)cc1/C=N/Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C25H26N4O2S/c30-18-26-25(31)24-9-6-20(21-10-13-32-17-21)14-22(24)15-27-28-23-7-4-19(5-8-23)16-29-11-2-1-3-12-29/h4-10,13-15,17-18,28H,1-3,11-12,16H2,(H,26,30,31)/b27-15+
InChIKeyIYKKPYRMDORTCV-JFLMPSFJSA-N
XLogP4.73
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-formyl-2-[(E)-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]methyl]-4-thiophen-3-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azepan-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 174503984
2-methyl-1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111411282
[(E)-[4-(azepan-1-ylmethyl)thiophen-2-yl]methylideneamino]urea;hydrochloride
CID 90485718
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-iodo-4-nitrobenzamide
CID 60622884
N-(4-bromo-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17491998
N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 108761981
N-[6-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-thiophen-3-ylbenzamide
CID 18436196
2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 62639474
4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 38099080
N-hydroxy-6-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]hexanamide
CID 142052359

Frequently Asked Questions

What is the IUPAC name of N-formyl-2-[(E)-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]methyl]-4-thiophen-3-ylbenzamide?
The IUPAC name of N-formyl-2-[(E)-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]methyl]-4-thiophen-3-ylbenzamide (CID 89347102) is N-formyl-2-[(E)-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]methyl]-4-thiophen-3-ylbenzamide.
What is the SMILES notation for N-formyl-2-[(E)-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]methyl]-4-thiophen-3-ylbenzamide?
The canonical SMILES for N-formyl-2-[(E)-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]methyl]-4-thiophen-3-ylbenzamide is O=CNC(=O)c1ccc(-c2ccsc2)cc1/C=N/Nc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-formyl-2-[(E)-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]methyl]-4-thiophen-3-ylbenzamide?
The InChIKey is IYKKPYRMDORTCV-JFLMPSFJSA-N. The full InChI is InChI=1S/C25H26N4O2S/c30-18-26-25(31)24-9-6-20(21-10-13-32-17-21)14-22(24)15-27-28-23-7-4-19(5-8-23)16-29-11-2-1-3-12-29/h4-10,13-15,17-18,28H,1-3,11-12,16H2,(H,26,30,31)/b27-15+.
What are the key properties of N-formyl-2-[(E)-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]methyl]-4-thiophen-3-ylbenzamide?
N-formyl-2-[(E)-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]methyl]-4-thiophen-3-ylbenzamide has a molecular weight of 446.58 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-2-[(E)-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]methyl]-4-thiophen-3-ylbenzamide is sourced from PubChem (CID 89347102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).