1-(4-fluorophenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one

C16H15FN2O2S — CID 67633279

IUPAC1-(4-fluorophenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one
SMILESCOc1ccc(NN=CC(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2O2S/c1-21-15-6-4-13(5-7-15)19-18-10-14(20)11-22-16-8-2-12(17)3-9-16/h2-10,19H,11H2,1H3
InChIKeyFKIPWCOIHVSCRI-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.59
Rot. Bonds7

About 1-(4-fluorophenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one

1-(4-fluorophenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one (PubChem CID 67633279) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one
PubChem CID67633279
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name1-(4-fluorophenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one
SMILESCOc1ccc(NN=CC(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2O2S/c1-21-15-6-4-13(5-7-15)19-18-10-14(20)11-22-16-8-2-12(17)3-9-16/h2-10,19H,11H2,1H3
InChIKeyFKIPWCOIHVSCRI-UHFFFAOYSA-N
XLogP3.59
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.59
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'}

Analyze 1-(4-fluorophenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one 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-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one
CID 67634039
1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one
CID 67634566
3-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 8935418
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 22781220
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 55380115
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
methyl 2-[[4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]benzoyl]amino]acetate
CID 46421581
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2609676
[4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate
CID 110509030
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one (CID 67633279) is 1-(4-fluorophenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one is COc1ccc(NN=CC(=O)CSc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one?
The InChIKey is FKIPWCOIHVSCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c1-21-15-6-4-13(5-7-15)19-18-10-14(20)11-22-16-8-2-12(17)3-9-16/h2-10,19H,11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one?
1-(4-fluorophenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one has a molecular weight of 318.37 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one is sourced from PubChem (CID 67633279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).