N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide

C17H19FN2O3S — CID 40611154

IUPACN'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCCc1cccs1
InChIInChI=1S/C17H19FN2O3S/c1-12(23-14-9-7-13(18)8-10-14)17(22)20-19-16(21)6-2-4-15-5-3-11-24-15/h3,5,7-12H,2,4,6H2,1H3,(H,19,21)(H,20,22)/t12-/m1/s1
InChIKeyBTCZFLZCMUTPMD-GFCCVEGCSA-N
MW350.42 g/mol
LogP2.82
Rot. Bonds7

About N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide

N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide (PubChem CID 40611154) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide
PubChem CID40611154
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCCc1cccs1
InChIInChI=1S/C17H19FN2O3S/c1-12(23-14-9-7-13(18)8-10-14)17(22)20-19-16(21)6-2-4-15-5-3-11-24-15/h3,5,7-12H,2,4,6H2,1H3,(H,19,21)(H,20,22)/t12-/m1/s1
InChIKeyBTCZFLZCMUTPMD-GFCCVEGCSA-N
XLogP2.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.82
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

N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
CID 7965139
2-(4-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195832
2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide
CID 112773422
2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide
CID 43017930
N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide
CID 55821299
N'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide
CID 55822078
2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide
CID 24547272
(2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9429083
2-(4-fluorophenoxy)-N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]propanehydrazide
CID 24567798
(2R)-2-(4-fluorophenoxy)-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]propanehydrazide
CID 9367846
4-cyclohexyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]butanehydrazide
CID 7965238
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate
CID 7962685

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide?
The IUPAC name of N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide (CID 40611154) is N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide.
What is the SMILES notation for N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide?
The canonical SMILES for N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide is C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCCc1cccs1.
What is the InChIKey of N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide?
The InChIKey is BTCZFLZCMUTPMD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-12(23-14-9-7-13(18)8-10-14)17(22)20-19-16(21)6-2-4-15-5-3-11-24-15/h3,5,7-12H,2,4,6H2,1H3,(H,19,21)(H,20,22)/t12-/m1/s1.
What are the key properties of N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide?
N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide has a molecular weight of 350.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide is sourced from PubChem (CID 40611154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).