N-[(1S)-3-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide

C18H20FN3O4S — CID 29432857

IUPACN-[(1S)-3-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)N[C@@H](CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F)c1cccs1
InChIInChI=1S/C18H20FN3O4S/c1-11(26-15-7-4-3-6-13(15)19)18(25)22-21-17(24)10-14(20-12(2)23)16-8-5-9-27-16/h3-9,11,14H,10H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)/t11-,14-/m0/s1
InChIKeyROTUNZNCVPHSFY-FZMZJTMJSA-N
MW393.44 g/mol
LogP2.07
Rot. Bonds7

About N-[(1S)-3-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide

N-[(1S)-3-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide (PubChem CID 29432857) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(1S)-3-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-3-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
PubChem CID29432857
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC NameN-[(1S)-3-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)N[C@@H](CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F)c1cccs1
InChIInChI=1S/C18H20FN3O4S/c1-11(26-15-7-4-3-6-13(15)19)18(25)22-21-17(24)10-14(20-12(2)23)16-8-5-9-27-16/h3-9,11,14H,10H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)/t11-,14-/m0/s1
InChIKeyROTUNZNCVPHSFY-FZMZJTMJSA-N
XLogP2.07
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.07
H-Bond Donors ≤ 53
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-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 24982102
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]urea
CID 18286571
N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 7910846
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]propanoate
CID 60712518
N-[(1S)-3-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 9367485
methyl 3-[2-(2-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate
CID 134043484
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
[(2S)-1-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 9372574
2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-3-methoxypropanoic acid
CID 81085010

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The IUPAC name of N-[(1S)-3-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide (CID 29432857) is N-[(1S)-3-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for N-[(1S)-3-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for N-[(1S)-3-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide is CC(=O)N[C@@H](CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F)c1cccs1.
What is the InChIKey of N-[(1S)-3-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The InChIKey is ROTUNZNCVPHSFY-FZMZJTMJSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-11(26-15-7-4-3-6-13(15)19)18(25)22-21-17(24)10-14(20-12(2)23)16-8-5-9-27-16/h3-9,11,14H,10H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)/t11-,14-/m0/s1.
What are the key properties of N-[(1S)-3-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide?
N-[(1S)-3-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 29432857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).