2-(4-formylphenoxy)-N-[2-(pentafluoro-λ6-sulfanyl)oxyphenyl]acetamide

C15H12F5NO4S — CID 177288010

IUPAC2-(4-formylphenoxy)-N-[2-(pentafluoro-λ6-sulfanyl)oxyphenyl]acetamide
SMILESO=Cc1ccc(OCC(=O)Nc2ccccc2OS(F)(F)(F)(F)F)cc1
InChIInChI=1S/C15H12F5NO4S/c16-26(17,18,19,20)25-14-4-2-1-3-13(14)21-15(23)10-24-12-7-5-11(9-22)6-8-12/h1-9H,10H2,(H,21,23)
InChIKeyDPMRBEBGVRDFEY-UHFFFAOYSA-N
MW397.32 g/mol
LogP5.11
Rot. Bonds7

About 2-(4-formylphenoxy)-N-[2-(pentafluoro-λ6-sulfanyl)oxyphenyl]acetamide

2-(4-formylphenoxy)-N-[2-(pentafluoro-λ6-sulfanyl)oxyphenyl]acetamide (PubChem CID 177288010) has the molecular formula C15H12F5NO4S and a molecular weight of 397.32 g/mol. Its IUPAC name is 2-(4-formylphenoxy)-N-[2-(pentafluoro-λ6-sulfanyl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(4-formylphenoxy)-N-[2-(pentafluoro-λ6-sulfanyl)oxyphenyl]acetamide
PubChem CID177288010
Molecular FormulaC15H12F5NO4S
Molecular Weight397.32 g/mol
Exact Mass397.04
IUPAC Name2-(4-formylphenoxy)-N-[2-(pentafluoro-λ6-sulfanyl)oxyphenyl]acetamide
SMILESO=Cc1ccc(OCC(=O)Nc2ccccc2OS(F)(F)(F)(F)F)cc1
InChIInChI=1S/C15H12F5NO4S/c16-26(17,18,19,20)25-14-4-2-1-3-13(14)21-15(23)10-24-12-7-5-11(9-22)6-8-12/h1-9H,10H2,(H,21,23)
InChIKeyDPMRBEBGVRDFEY-UHFFFAOYSA-N
XLogP5.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.32
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-(pentafluoro-λ6-sulfanyl)oxyphenyl] 2-(4-formylphenoxy)acetate
CID 177288016
N-(2-bromophenyl)-2-(4-formylphenoxy)acetamide
CID 23410083
N-[2-(azepan-1-yl)phenyl]-2-(4-formylphenoxy)acetamide
CID 78878320
N-(2-ethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 727173
2-(4-formylphenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 78761860
2-(4-hydroxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 43326297
N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide
CID 23409164
2-(4-methylphenoxy)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 35202525
2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386
N-benzyl-2-(4-formylphenoxy)acetamide
CID 17201664
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529
2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 7696129

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylphenoxy)-N-[2-(pentafluoro-λ6-sulfanyl)oxyphenyl]acetamide?
The IUPAC name of 2-(4-formylphenoxy)-N-[2-(pentafluoro-λ6-sulfanyl)oxyphenyl]acetamide (CID 177288010) is 2-(4-formylphenoxy)-N-[2-(pentafluoro-λ6-sulfanyl)oxyphenyl]acetamide.
What is the SMILES notation for 2-(4-formylphenoxy)-N-[2-(pentafluoro-λ6-sulfanyl)oxyphenyl]acetamide?
The canonical SMILES for 2-(4-formylphenoxy)-N-[2-(pentafluoro-λ6-sulfanyl)oxyphenyl]acetamide is O=Cc1ccc(OCC(=O)Nc2ccccc2OS(F)(F)(F)(F)F)cc1.
What is the InChIKey of 2-(4-formylphenoxy)-N-[2-(pentafluoro-λ6-sulfanyl)oxyphenyl]acetamide?
The InChIKey is DPMRBEBGVRDFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5NO4S/c16-26(17,18,19,20)25-14-4-2-1-3-13(14)21-15(23)10-24-12-7-5-11(9-22)6-8-12/h1-9H,10H2,(H,21,23).
What are the key properties of 2-(4-formylphenoxy)-N-[2-(pentafluoro-λ6-sulfanyl)oxyphenyl]acetamide?
2-(4-formylphenoxy)-N-[2-(pentafluoro-λ6-sulfanyl)oxyphenyl]acetamide has a molecular weight of 397.32 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylphenoxy)-N-[2-(pentafluoro-λ6-sulfanyl)oxyphenyl]acetamide is sourced from PubChem (CID 177288010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).