2-(2-fluorophenoxy)-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]acetohydrazide

C15H15FN2O3S2 — CID 8636119

IUPAC2-(2-fluorophenoxy)-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]acetohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)CSCc1cccs1
InChIInChI=1S/C15H15FN2O3S2/c16-12-5-1-2-6-13(12)21-8-14(19)17-18-15(20)10-22-9-11-4-3-7-23-11/h1-7H,8-10H2,(H,17,19)(H,18,20)
InChIKeyMFEVBAXAUQZVRH-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.35
Rot. Bonds7

About 2-(2-fluorophenoxy)-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]acetohydrazide

2-(2-fluorophenoxy)-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]acetohydrazide (PubChem CID 8636119) has the molecular formula C15H15FN2O3S2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]acetohydrazide
PubChem CID8636119
Molecular FormulaC15H15FN2O3S2
Molecular Weight354.43 g/mol
Exact Mass354.05
IUPAC Name2-(2-fluorophenoxy)-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]acetohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)CSCc1cccs1
InChIInChI=1S/C15H15FN2O3S2/c16-12-5-1-2-6-13(12)21-8-14(19)17-18-15(20)10-22-9-11-4-3-7-23-11/h1-7H,8-10H2,(H,17,19)(H,18,20)
InChIKeyMFEVBAXAUQZVRH-UHFFFAOYSA-N
XLogP2.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.35
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'-[2-(2-fluorophenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479038
2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide
CID 9471875
N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 9471896
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 3895307
2-(2-fluorophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9011592
2-(2-fluorophenoxy)-N-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]acetamide
CID 129355138
5-fluoro-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzoic acid
CID 43359635
3-(2-fluorophenoxy)-N-(2-thiophen-2-ylethyl)propanamide
CID 78779605
2-(2-fluorophenoxy)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733468
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide
CID 17439720

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]acetohydrazide?
The IUPAC name of 2-(2-fluorophenoxy)-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]acetohydrazide (CID 8636119) is 2-(2-fluorophenoxy)-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]acetohydrazide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]acetohydrazide?
The canonical SMILES for 2-(2-fluorophenoxy)-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]acetohydrazide is O=C(COc1ccccc1F)NNC(=O)CSCc1cccs1.
What is the InChIKey of 2-(2-fluorophenoxy)-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]acetohydrazide?
The InChIKey is MFEVBAXAUQZVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S2/c16-12-5-1-2-6-13(12)21-8-14(19)17-18-15(20)10-22-9-11-4-3-7-23-11/h1-7H,8-10H2,(H,17,19)(H,18,20).
What are the key properties of 2-(2-fluorophenoxy)-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]acetohydrazide?
2-(2-fluorophenoxy)-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]acetohydrazide has a molecular weight of 354.43 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]acetohydrazide is sourced from PubChem (CID 8636119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).