N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide

C18H19FN2O3S — CID 7969751

IUPACN'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide
SMILESCc1ccc(OCCC(=O)NNC(=O)CSc2ccccc2F)cc1
InChIInChI=1S/C18H19FN2O3S/c1-13-6-8-14(9-7-13)24-11-10-17(22)20-21-18(23)12-25-16-5-3-2-4-15(16)19/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyFUSZCLAZZICRSH-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.84
Rot. Bonds7

About N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide

N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide (PubChem CID 7969751) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide
PubChem CID7969751
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide
SMILESCc1ccc(OCCC(=O)NNC(=O)CSc2ccccc2F)cc1
InChIInChI=1S/C18H19FN2O3S/c1-13-6-8-14(9-7-13)24-11-10-17(22)20-21-18(23)12-25-16-5-3-2-4-15(16)19/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyFUSZCLAZZICRSH-UHFFFAOYSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 18273997
2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 7969743
1-(2-fluorophenyl)-3-[3-(4-methylphenoxy)propanoylamino]thiourea
CID 9468541
N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide
CID 7969097
3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 9418079
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
CID 24641294
N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide
CID 24641233
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591885
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide
CID 9417849
3-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 19168024
N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 24641284
N'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 134060211

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide (CID 7969751) is N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide is Cc1ccc(OCCC(=O)NNC(=O)CSc2ccccc2F)cc1.
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide?
The InChIKey is FUSZCLAZZICRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-13-6-8-14(9-7-13)24-11-10-17(22)20-21-18(23)12-25-16-5-3-2-4-15(16)19/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide?
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide has a molecular weight of 362.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide is sourced from PubChem (CID 7969751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).