2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide

C18H19FN2O3S — CID 7969743

IUPAC2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)CSc2ccccc2F)c1
InChIInChI=1S/C18H19FN2O3S/c1-12-7-13(2)9-14(8-12)24-10-17(22)20-21-18(23)11-25-16-6-4-3-5-15(16)19/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCKSPYNSGVVOPIT-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.76
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide

2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide (PubChem CID 7969743) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
PubChem CID7969743
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)CSc2ccccc2F)c1
InChIInChI=1S/C18H19FN2O3S/c1-12-7-13(2)9-14(8-12)24-10-17(22)20-21-18(23)11-25-16-6-4-3-5-15(16)19/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCKSPYNSGVVOPIT-UHFFFAOYSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide 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

N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
CID 24641294
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide
CID 7969751
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide
CID 24641286
N-(2,6-difluorophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 21368263
2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 9428838
2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide
CID 40649593
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide
CID 9320723
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide
CID 78771952
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide
CID 18162327
2-(2-chloro-6-fluorophenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]acetohydrazide
CID 30544669
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656621
N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide
CID 30483036

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide (CID 7969743) is 2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide is Cc1cc(C)cc(OCC(=O)NNC(=O)CSc2ccccc2F)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
The InChIKey is CKSPYNSGVVOPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-12-7-13(2)9-14(8-12)24-10-17(22)20-21-18(23)11-25-16-6-4-3-5-15(16)19/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide has a molecular weight of 362.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide is sourced from PubChem (CID 7969743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).