2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide

C9H10F5NO2S — CID 177288026

IUPAC2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C9H10F5NO2S/c1-17-6-9(16)15-7-2-4-8(5-3-7)18(10,11,12,13)14/h2-5H,6H2,1H3,(H,15,16)
InChIKeyKXCDUERBWPHHSD-UHFFFAOYSA-N
MW291.24 g/mol
LogP3.93
Rot. Bonds4

About 2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide

2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide (PubChem CID 177288026) has the molecular formula C9H10F5NO2S and a molecular weight of 291.24 g/mol. Its IUPAC name is 2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide
PubChem CID177288026
Molecular FormulaC9H10F5NO2S
Molecular Weight291.24 g/mol
Exact Mass291.04
IUPAC Name2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C9H10F5NO2S/c1-17-6-9(16)15-7-2-4-8(5-3-7)18(10,11,12,13)14/h2-5H,6H2,1H3,(H,15,16)
InChIKeyKXCDUERBWPHHSD-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-oxo-2-[4-(pentafluoro-λ6-sulfanyl)anilino]ethyl] acetate
CID 86691876
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
N-(4-hydrazinylphenyl)-2-methoxyacetamide
CID 141361616
N-[4-(hydroxymethyl)phenyl]-2-methoxyacetamide
CID 64794296
[2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate
CID 170392422
2-methoxy-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60719081
N-[4-(cyclopentylamino)phenyl]-2-methoxyacetamide
CID 43717401
ethane;2-methoxy-N-phenylacetamide;yttrium
CID 159976159
2-(tert-butylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 47842254
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide
CID 42948482
2-bromo-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 114014349
2,2,3,3-tetrafluoro-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 103732513

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide (CID 177288026) is 2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide is COCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of 2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide?
The InChIKey is KXCDUERBWPHHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F5NO2S/c1-17-6-9(16)15-7-2-4-8(5-3-7)18(10,11,12,13)14/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide?
2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide has a molecular weight of 291.24 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide is sourced from PubChem (CID 177288026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).