2-methoxy-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]acetamide

C9H10F5NO2S — CID 177288091

IUPAC2-methoxy-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C9H10F5NO2S/c1-17-6-9(16)15-7-3-2-4-8(5-7)18(10,11,12,13)14/h2-5H,6H2,1H3,(H,15,16)
InChIKeyYSUYERNKRADENW-UHFFFAOYSA-N
MW291.24 g/mol
LogP3.93
Rot. Bonds4

About 2-methoxy-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]acetamide

2-methoxy-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]acetamide (PubChem CID 177288091) has the molecular formula C9H10F5NO2S and a molecular weight of 291.24 g/mol. Its IUPAC name is 2-methoxy-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]acetamide
PubChem CID177288091
Molecular FormulaC9H10F5NO2S
Molecular Weight291.24 g/mol
Exact Mass291.04
IUPAC Name2-methoxy-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C9H10F5NO2S/c1-17-6-9(16)15-7-3-2-4-8(5-7)18(10,11,12,13)14/h2-5H,6H2,1H3,(H,15,16)
InChIKeyYSUYERNKRADENW-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-methoxy-N-phenylacetamide
CID 264222
Acetamide, N-(4-fluorophenyl)-2-methoxy-
CID 532080
N-(3,4-difluorophenyl)-2-ethoxyacetamide
CID 2163016
[2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] acetate
CID 2387371
2-ethoxy-N-[3-(methylsulfanyl)phenyl]acetamide
CID 1731950
2-[(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)oxy]-N-phenylacetamide
CID 71384122
N-[4-(Pentafluorosulfanyl)phenyl]acetamide
CID 21576972
N-(4-aminophenyl)-2-methoxyacetamide
CID 11019457
3-Acetamidobenzenesulfonyl fluoride
CID 309749
N-(3,5-difluorophenyl)-2-methoxyacetamide
CID 2987664
N-(4-iodophenyl)-2-methoxyacetamide
CID 836397
2-ethoxy-N-phenylacetamide
CID 1731799

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]acetamide (CID 177288091) is 2-methoxy-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]acetamide is COCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of 2-methoxy-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]acetamide?
The InChIKey is YSUYERNKRADENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F5NO2S/c1-17-6-9(16)15-7-3-2-4-8(5-7)18(10,11,12,13)14/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-methoxy-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]acetamide?
2-methoxy-N-[3-(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-[3-(pentafluoro-λ6-sulfanyl)phenyl]acetamide is sourced from PubChem (CID 177288091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).