[1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate

C23H16N2O3S — CID 4093667

IUPAC[1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
SMILESO=C(Oc1ccc2ccccc2c1C=NNC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C23H16N2O3S/c26-22(21-11-6-14-29-21)25-24-15-19-18-10-5-4-7-16(18)12-13-20(19)28-23(27)17-8-2-1-3-9-17/h1-15H,(H,25,26)
InChIKeyFQJVDJXBQFAVDH-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.88
Rot. Bonds5

About [1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate

[1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate (PubChem CID 4093667) has the molecular formula C23H16N2O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is [1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate.

Molecular Properties

Compound Name[1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
PubChem CID4093667
Molecular FormulaC23H16N2O3S
Molecular Weight400.46 g/mol
Exact Mass400.09
IUPAC Name[1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
SMILESO=C(Oc1ccc2ccccc2c1C=NNC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C23H16N2O3S/c26-22(21-11-6-14-29-21)25-24-15-19-18-10-5-4-7-16(18)12-13-20(19)28-23(27)17-8-2-1-3-9-17/h1-15H,(H,25,26)
InChIKeyFQJVDJXBQFAVDH-UHFFFAOYSA-N
XLogP4.88
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate 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

[1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 3442368
[1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 6092077
[1-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 6002854
[1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 4071178
[1-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6186341
[1-[(E)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 51061339
[1-[[(4-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 3871773
[1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 6157269
[1-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 45054760
[1-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6017514
[1-[[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 4988775
[1-[[(3-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 3714949

Frequently Asked Questions

What is the IUPAC name of [1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate?
The IUPAC name of [1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate (CID 4093667) is [1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate.
What is the SMILES notation for [1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate?
The canonical SMILES for [1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate is O=C(Oc1ccc2ccccc2c1C=NNC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of [1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate?
The InChIKey is FQJVDJXBQFAVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3S/c26-22(21-11-6-14-29-21)25-24-15-19-18-10-5-4-7-16(18)12-13-20(19)28-23(27)17-8-2-1-3-9-17/h1-15H,(H,25,26).
What are the key properties of [1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate?
[1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate has a molecular weight of 400.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate is sourced from PubChem (CID 4093667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).