4-[[cyclobutyloxy(methyl)phosphoryl]methyl]-N-(3-thiophen-2-ylphenyl)benzohydrazide

C23H25N2O3PS — CID 67317148

IUPAC4-[[cyclobutyloxy(methyl)phosphoryl]methyl]-N-(3-thiophen-2-ylphenyl)benzohydrazide
SMILESCP(=O)(Cc1ccc(C(=O)N(N)c2cccc(-c3cccs3)c2)cc1)OC1CCC1
InChIInChI=1S/C23H25N2O3PS/c1-29(27,28-21-7-3-8-21)16-17-10-12-18(13-11-17)23(26)25(24)20-6-2-5-19(15-20)22-9-4-14-30-22/h2,4-6,9-15,21H,3,7-8,16,24H2,1H3
InChIKeyNQZSZQAHGGFHRA-UHFFFAOYSA-N
MW440.51 g/mol
LogP5.91
Rot. Bonds7

About 4-[[cyclobutyloxy(methyl)phosphoryl]methyl]-N-(3-thiophen-2-ylphenyl)benzohydrazide

4-[[cyclobutyloxy(methyl)phosphoryl]methyl]-N-(3-thiophen-2-ylphenyl)benzohydrazide (PubChem CID 67317148) has the molecular formula C23H25N2O3PS and a molecular weight of 440.51 g/mol. Its IUPAC name is 4-[[cyclobutyloxy(methyl)phosphoryl]methyl]-N-(3-thiophen-2-ylphenyl)benzohydrazide.

Molecular Properties

Compound Name4-[[cyclobutyloxy(methyl)phosphoryl]methyl]-N-(3-thiophen-2-ylphenyl)benzohydrazide
PubChem CID67317148
Molecular FormulaC23H25N2O3PS
Molecular Weight440.51 g/mol
Exact Mass440.13
IUPAC Name4-[[cyclobutyloxy(methyl)phosphoryl]methyl]-N-(3-thiophen-2-ylphenyl)benzohydrazide
SMILESCP(=O)(Cc1ccc(C(=O)N(N)c2cccc(-c3cccs3)c2)cc1)OC1CCC1
InChIInChI=1S/C23H25N2O3PS/c1-29(27,28-21-7-3-8-21)16-17-10-12-18(13-11-17)23(26)25(24)20-6-2-5-19(15-20)22-9-4-14-30-22/h2,4-6,9-15,21H,3,7-8,16,24H2,1H3
InChIKeyNQZSZQAHGGFHRA-UHFFFAOYSA-N
XLogP5.91
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-[[cyclobutyloxy(methyl)phosphoryl]methyl]-N-(3-thiophen-2-ylphenyl)benzohydrazide 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-[[cyclobutyloxy(methyl)phosphoryl]methyl]-N-(3-thiophen-2-ylphenyl)benzohydrazide?
The IUPAC name of 4-[[cyclobutyloxy(methyl)phosphoryl]methyl]-N-(3-thiophen-2-ylphenyl)benzohydrazide (CID 67317148) is 4-[[cyclobutyloxy(methyl)phosphoryl]methyl]-N-(3-thiophen-2-ylphenyl)benzohydrazide.
What is the SMILES notation for 4-[[cyclobutyloxy(methyl)phosphoryl]methyl]-N-(3-thiophen-2-ylphenyl)benzohydrazide?
The canonical SMILES for 4-[[cyclobutyloxy(methyl)phosphoryl]methyl]-N-(3-thiophen-2-ylphenyl)benzohydrazide is CP(=O)(Cc1ccc(C(=O)N(N)c2cccc(-c3cccs3)c2)cc1)OC1CCC1.
What is the InChIKey of 4-[[cyclobutyloxy(methyl)phosphoryl]methyl]-N-(3-thiophen-2-ylphenyl)benzohydrazide?
The InChIKey is NQZSZQAHGGFHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N2O3PS/c1-29(27,28-21-7-3-8-21)16-17-10-12-18(13-11-17)23(26)25(24)20-6-2-5-19(15-20)22-9-4-14-30-22/h2,4-6,9-15,21H,3,7-8,16,24H2,1H3.
What are the key properties of 4-[[cyclobutyloxy(methyl)phosphoryl]methyl]-N-(3-thiophen-2-ylphenyl)benzohydrazide?
4-[[cyclobutyloxy(methyl)phosphoryl]methyl]-N-(3-thiophen-2-ylphenyl)benzohydrazide has a molecular weight of 440.51 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclobutyloxy(methyl)phosphoryl]methyl]-N-(3-thiophen-2-ylphenyl)benzohydrazide is sourced from PubChem (CID 67317148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).