N-methoxy-N-methyl-3-(pentafluoro-λ6-sulfanyl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide

C11H10F8N2O3S — CID 58085698

IUPACN-methoxy-N-methyl-3-(pentafluoro-λ6-sulfanyl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCON(C)C(=O)c1cc(NC(=O)C(F)(F)F)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C11H10F8N2O3S/c1-21(24-2)9(22)6-3-7(20-10(23)11(12,13)14)5-8(4-6)25(15,16,17,18)19/h3-5H,1-2H3,(H,20,23)
InChIKeyQBOXJTANXUVIBY-UHFFFAOYSA-N
MW402.26 g/mol
LogP4.48
Rot. Bonds4

About N-methoxy-N-methyl-3-(pentafluoro-λ6-sulfanyl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide

N-methoxy-N-methyl-3-(pentafluoro-λ6-sulfanyl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 58085698) has the molecular formula C11H10F8N2O3S and a molecular weight of 402.26 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-(pentafluoro-λ6-sulfanyl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-(pentafluoro-λ6-sulfanyl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide
PubChem CID58085698
Molecular FormulaC11H10F8N2O3S
Molecular Weight402.26 g/mol
Exact Mass402.03
IUPAC NameN-methoxy-N-methyl-3-(pentafluoro-λ6-sulfanyl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCON(C)C(=O)c1cc(NC(=O)C(F)(F)F)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C11H10F8N2O3S/c1-21(24-2)9(22)6-3-7(20-10(23)11(12,13)14)5-8(4-6)25(15,16,17,18)19/h3-5H,1-2H3,(H,20,23)
InChIKeyQBOXJTANXUVIBY-UHFFFAOYSA-N
XLogP4.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(methylidene-lambda3-bromanyl)acetyl]-5-(pentafluoro-lambda6-sulfanyl)phenyl]acetamide
CID 163646610
3-(dimethylamino)-N-methoxy-N-methyl-5-[tetrafluoro(methyl)-lambda6-sulfanyl]benzamide
CID 57791302
N-[3-(2-bromoacetyl)-5-pentafluorosulfanylphenyl]-2,2,2-trifluoroacetamide
CID 58085702
3-Amino-N-methoxy-N-methyl-5-pentafluorosulfanylbenzamide
CID 58085703
3-Dimethylamino-N-methoxy-N-methyl-5-pentafluorosulfanylbenzamide
CID 58085704
N-(3-Acetyl-5-pentafluorosulfanylphenyl)-2,2,2-trifluoroacetamide
CID 58085708
N-Methoxy-N-methyl-5-nitro-3-pentafluorosulfanylbenzamide
CID 58136777
3-Acetylamino-N-methoxy-N-methyl-5-(pentafluorosulfanyl)benzamide
CID 58136820
N-[3-(2-Bromoacetyl)-5-(pentafluorosulfanyl)phenyl]-2,2,2-trifluoro-N-methylacetamide
CID 58136859
N-[3-Acetyl-5-(pentafluorosulfanyl)phenyl]-2,2,2-trifluoro-N-methylacetamide
CID 58136869
N-Methoxy-N-methyl-3-morpholin-4-yl-5-(pentafluorosulfanyl)benzamide
CID 58136881
N-[3-Acetyl-5-(pentafluorosulfanyl)phenyl]acetamide
CID 58136897

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-(pentafluoro-λ6-sulfanyl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide?
The IUPAC name of N-methoxy-N-methyl-3-(pentafluoro-λ6-sulfanyl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 58085698) is N-methoxy-N-methyl-3-(pentafluoro-λ6-sulfanyl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide.
What is the SMILES notation for N-methoxy-N-methyl-3-(pentafluoro-λ6-sulfanyl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide?
The canonical SMILES for N-methoxy-N-methyl-3-(pentafluoro-λ6-sulfanyl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide is CON(C)C(=O)c1cc(NC(=O)C(F)(F)F)cc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of N-methoxy-N-methyl-3-(pentafluoro-λ6-sulfanyl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide?
The InChIKey is QBOXJTANXUVIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F8N2O3S/c1-21(24-2)9(22)6-3-7(20-10(23)11(12,13)14)5-8(4-6)25(15,16,17,18)19/h3-5H,1-2H3,(H,20,23).
What are the key properties of N-methoxy-N-methyl-3-(pentafluoro-λ6-sulfanyl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide?
N-methoxy-N-methyl-3-(pentafluoro-λ6-sulfanyl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 402.26 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-(pentafluoro-λ6-sulfanyl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 58085698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).