3-(dimethylamino)-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide

C11H15F5N2O2S — CID 58085704

IUPAC3-(dimethylamino)-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide
SMILESCON(C)C(=O)c1cc(N(C)C)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C11H15F5N2O2S/c1-17(2)9-5-8(11(19)18(3)20-4)6-10(7-9)21(12,13,14,15)16/h5-7H,1-4H3
InChIKeyRWEKAZKUAKTXFJ-UHFFFAOYSA-N
MW334.31 g/mol
LogP4.04
Rot. Bonds4

About 3-(dimethylamino)-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide

3-(dimethylamino)-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide (PubChem CID 58085704) has the molecular formula C11H15F5N2O2S and a molecular weight of 334.31 g/mol. Its IUPAC name is 3-(dimethylamino)-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide
PubChem CID58085704
Molecular FormulaC11H15F5N2O2S
Molecular Weight334.31 g/mol
Exact Mass334.08
IUPAC Name3-(dimethylamino)-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide
SMILESCON(C)C(=O)c1cc(N(C)C)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C11H15F5N2O2S/c1-17(2)9-5-8(11(19)18(3)20-4)6-10(7-9)21(12,13,14,15)16/h5-7H,1-4H3
InChIKeyRWEKAZKUAKTXFJ-UHFFFAOYSA-N
XLogP4.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N-methoxy-N-methylbenzamide
CID 45794498
3-(dimethylamino)-N-methoxy-N-methyl-5-[tetrafluoro(methyl)-lambda6-sulfanyl]benzamide
CID 57791302
N-Methoxy-N-methyl-5-pentafluorosulfanyl-3-(2,2,2-trifluoroacetylamino)benzamide
CID 58085698
3-Amino-N-methoxy-N-methyl-5-pentafluorosulfanylbenzamide
CID 58085703
1-(3-Dimethylamino-5-pentafluorosulfanylphenyl)ethanone
CID 58085707
2-Bromo-1-(3-dimethylamino-5-pentafluorosulfanylphenyl)ethanone
CID 58085709
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-(2-bromoacetyl)-5-(pentafluoro-lambda6-sulfanyl)phenyl]-N-methylacetamide
CID 58136863
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

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide (CID 58085704) is 3-(dimethylamino)-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide is CON(C)C(=O)c1cc(N(C)C)cc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of 3-(dimethylamino)-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide?
The InChIKey is RWEKAZKUAKTXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5N2O2S/c1-17(2)9-5-8(11(19)18(3)20-4)6-10(7-9)21(12,13,14,15)16/h5-7H,1-4H3.
What are the key properties of 3-(dimethylamino)-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide?
3-(dimethylamino)-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide has a molecular weight of 334.31 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide is sourced from PubChem (CID 58085704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).