2,2,2-trifluoro-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]acetohydrazide

C15H13F3N2O2S — CID 2728154

IUPAC2,2,2-trifluoro-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]acetohydrazide
SMILESO=C(CSCc1cccc2ccccc12)NNC(=O)C(F)(F)F
InChIInChI=1S/C15H13F3N2O2S/c16-15(17,18)14(22)20-19-13(21)9-23-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,19,21)(H,20,22)
InChIKeyAHONJARRZOIIEF-UHFFFAOYSA-N
MW342.34 g/mol
LogP2.78
Rot. Bonds4

About 2,2,2-trifluoro-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]acetohydrazide

2,2,2-trifluoro-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]acetohydrazide (PubChem CID 2728154) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]acetohydrazide
PubChem CID2728154
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Name2,2,2-trifluoro-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]acetohydrazide
SMILESO=C(CSCc1cccc2ccccc12)NNC(=O)C(F)(F)F
InChIInChI=1S/C15H13F3N2O2S/c16-15(17,18)14(22)20-19-13(21)9-23-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,19,21)(H,20,22)
InChIKeyAHONJARRZOIIEF-UHFFFAOYSA-N
XLogP2.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(Trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide
CID 2803876
2-(2-Naphthalenylthio)acetic acid hydrazide
CID 785677
N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide
CID 2728104
(E)-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide
CID 5817570
2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide
CID 11859561
2-{[3-(Trifluoromethyl)benzyl]sulfanyl}acetohydrazide
CID 17379180
N'-[(benzylsulfanyl)acetyl]-2,2,2-trifluoroacetohydrazide
CID 24214814
2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide
CID 40432104
2-(Naphthalen-2-ylmethylsulfanyl)acetamide
CID 18356582
2-(Naphthalen-1-ylmethylsulfanyl)acetamide;hydrochloride
CID 69713970
2-[(4-Naphthalen-1-ylphenyl)methylsulfonyl]acetohydrazide
CID 142167208
2-(Naphthalen-1-ylmethylsulfanyl)acetohydrazide
CID 2737033

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]acetohydrazide?
The IUPAC name of 2,2,2-trifluoro-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]acetohydrazide (CID 2728154) is 2,2,2-trifluoro-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]acetohydrazide.
What is the SMILES notation for 2,2,2-trifluoro-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]acetohydrazide?
The canonical SMILES for 2,2,2-trifluoro-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]acetohydrazide is O=C(CSCc1cccc2ccccc12)NNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]acetohydrazide?
The InChIKey is AHONJARRZOIIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c16-15(17,18)14(22)20-19-13(21)9-23-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,19,21)(H,20,22).
What are the key properties of 2,2,2-trifluoro-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]acetohydrazide?
2,2,2-trifluoro-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]acetohydrazide has a molecular weight of 342.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]acetohydrazide is sourced from PubChem (CID 2728154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).