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

C17H17FN2O4S — CID 7965139

IUPACN'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C17H17FN2O4S/c1-11(24-13-6-4-12(18)5-7-13)17(23)20-19-16(22)9-8-14(21)15-3-2-10-25-15/h2-7,10-11H,8-9H2,1H3,(H,19,22)(H,20,23)/t11-/m1/s1
InChIKeyKVZHHWOWSKDSTP-LLVKDONJSA-N
MW364.40 g/mol
LogP2.46
Rot. Bonds7

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

N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide (PubChem CID 7965139) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
PubChem CID7965139
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC NameN'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C17H17FN2O4S/c1-11(24-13-6-4-12(18)5-7-13)17(23)20-19-16(22)9-8-14(21)15-3-2-10-25-15/h2-7,10-11H,8-9H2,1H3,(H,19,22)(H,20,23)/t11-/m1/s1
InChIKeyKVZHHWOWSKDSTP-LLVKDONJSA-N
XLogP2.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.46
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

N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide
CID 40611154
2-(4-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195832
ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate
CID 9091729
2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide
CID 43017930
N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 9343261
N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4942927
N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide
CID 55821299
2-(4-fluorophenoxy)-N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]propanehydrazide
CID 24567798
N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 9237641
(2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9429083
N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide
CID 46656768
(2R)-2-(4-fluorophenoxy)-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]propanehydrazide
CID 9367846

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide?
The IUPAC name of N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide (CID 7965139) is N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide.
What is the SMILES notation for N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide?
The canonical SMILES for N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide is C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCC(=O)c1cccs1.
What is the InChIKey of N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide?
The InChIKey is KVZHHWOWSKDSTP-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c1-11(24-13-6-4-12(18)5-7-13)17(23)20-19-16(22)9-8-14(21)15-3-2-10-25-15/h2-7,10-11H,8-9H2,1H3,(H,19,22)(H,20,23)/t11-/m1/s1.
What are the key properties of N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide?
N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide has a molecular weight of 364.40 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide is sourced from PubChem (CID 7965139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).