(2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide

C20H23FN2O4S — CID 9343061

IUPAC(2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CCSc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-3-26-16-6-8-17(9-7-16)27-14(2)20(25)23-22-19(24)12-13-28-18-10-4-15(21)5-11-18/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)(H,23,25)/t14-/m0/s1
InChIKeyUNYKEXUWNDEJSF-AWEZNQCLSA-N
MW406.48 g/mol
LogP3.32
Rot. Bonds9

About (2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide

(2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide (PubChem CID 9343061) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is (2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide.

Molecular Properties

Compound Name(2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide
PubChem CID9343061
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name(2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CCSc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-3-26-16-6-8-17(9-7-16)27-14(2)20(25)23-22-19(24)12-13-28-18-10-4-15(21)5-11-18/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)(H,23,25)/t14-/m0/s1
InChIKeyUNYKEXUWNDEJSF-AWEZNQCLSA-N
XLogP3.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide
CID 43056945
ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate
CID 9091729
N'-[2-(4-ethoxyphenoxy)propanoyl]-4-phenoxybutanehydrazide
CID 43003788
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 40611223
2-(4-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195832
(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide
CID 28958208
(2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9428468
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8573954
(2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9429083
(2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 7964947
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
(2R)-N'-(3-cyclopentylpropanoyl)-2-(4-fluorophenoxy)propanehydrazide
CID 7965228

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide?
The IUPAC name of (2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide (CID 9343061) is (2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide.
What is the SMILES notation for (2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide?
The canonical SMILES for (2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide is CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CCSc2ccc(F)cc2)cc1.
What is the InChIKey of (2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide?
The InChIKey is UNYKEXUWNDEJSF-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-3-26-16-6-8-17(9-7-16)27-14(2)20(25)23-22-19(24)12-13-28-18-10-4-15(21)5-11-18/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)(H,23,25)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide?
(2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide has a molecular weight of 406.48 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide is sourced from PubChem (CID 9343061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).