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

C11H13F5N2O3S — CID 58136820

IUPAC3-acetamido-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide
SMILESCON(C)C(=O)c1cc(NC(C)=O)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C11H13F5N2O3S/c1-7(19)17-9-4-8(11(20)18(2)21-3)5-10(6-9)22(12,13,14,15)16/h4-6H,1-3H3,(H,17,19)
InChIKeyVICZZRIJLXDIDO-UHFFFAOYSA-N
MW348.29 g/mol
LogP3.94
Rot. Bonds4

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

3-acetamido-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide (PubChem CID 58136820) has the molecular formula C11H13F5N2O3S and a molecular weight of 348.29 g/mol. Its IUPAC name is 3-acetamido-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide
PubChem CID58136820
Molecular FormulaC11H13F5N2O3S
Molecular Weight348.29 g/mol
Exact Mass348.06
IUPAC Name3-acetamido-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide
SMILESCON(C)C(=O)c1cc(NC(C)=O)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C11H13F5N2O3S/c1-7(19)17-9-4-8(11(20)18(2)21-3)5-10(6-9)22(12,13,14,15)16/h4-6H,1-3H3,(H,17,19)
InChIKeyVICZZRIJLXDIDO-UHFFFAOYSA-N
XLogP3.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 53.94
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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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide?
The IUPAC name of 3-acetamido-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide (CID 58136820) is 3-acetamido-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide.
What is the SMILES notation for 3-acetamido-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide?
The canonical SMILES for 3-acetamido-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide is CON(C)C(=O)c1cc(NC(C)=O)cc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of 3-acetamido-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide?
The InChIKey is VICZZRIJLXDIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5N2O3S/c1-7(19)17-9-4-8(11(20)18(2)21-3)5-10(6-9)22(12,13,14,15)16/h4-6H,1-3H3,(H,17,19).
What are the key properties of 3-acetamido-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide?
3-acetamido-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide has a molecular weight of 348.29 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-methoxy-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide is sourced from PubChem (CID 58136820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).