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

C10H11F5N2O2S — CID 89160559

IUPAC3-acetamido-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide
SMILESCNC(=O)c1cc(NC(C)=O)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C10H11F5N2O2S/c1-6(18)17-8-3-7(10(19)16-2)4-9(5-8)20(11,12,13,14)15/h3-5H,1-2H3,(H,16,19)(H,17,18)
InChIKeyBYKFVUJQPMZHOR-UHFFFAOYSA-N
MW318.27 g/mol
LogP3.66
Rot. Bonds3

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

3-acetamido-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide (PubChem CID 89160559) has the molecular formula C10H11F5N2O2S and a molecular weight of 318.27 g/mol. Its IUPAC name is 3-acetamido-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide
PubChem CID89160559
Molecular FormulaC10H11F5N2O2S
Molecular Weight318.27 g/mol
Exact Mass318.05
IUPAC Name3-acetamido-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide
SMILESCNC(=O)c1cc(NC(C)=O)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C10H11F5N2O2S/c1-6(18)17-8-3-7(10(19)16-2)4-9(5-8)20(11,12,13,14)15/h3-5H,1-2H3,(H,16,19)(H,17,18)
InChIKeyBYKFVUJQPMZHOR-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide?
The IUPAC name of 3-acetamido-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide (CID 89160559) is 3-acetamido-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide.
What is the SMILES notation for 3-acetamido-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide?
The canonical SMILES for 3-acetamido-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide is CNC(=O)c1cc(NC(C)=O)cc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of 3-acetamido-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide?
The InChIKey is BYKFVUJQPMZHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5N2O2S/c1-6(18)17-8-3-7(10(19)16-2)4-9(5-8)20(11,12,13,14)15/h3-5H,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 3-acetamido-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide?
3-acetamido-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide has a molecular weight of 318.27 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-methyl-5-(pentafluoro-λ6-sulfanyl)benzamide is sourced from PubChem (CID 89160559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).