2,6-difluoro-3-[(4-methylthiophen-2-yl)methoxy]benzamide

C13H11F2NO2S — CID 46237009

IUPAC2,6-difluoro-3-[(4-methylthiophen-2-yl)methoxy]benzamide
SMILESCc1csc(COc2ccc(F)c(C(N)=O)c2F)c1
InChIInChI=1S/C13H11F2NO2S/c1-7-4-8(19-6-7)5-18-10-3-2-9(14)11(12(10)15)13(16)17/h2-4,6H,5H2,1H3,(H2,16,17)
InChIKeyHKIQGLVYNNMVMM-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.01
Rot. Bonds4

About 2,6-difluoro-3-[(4-methylthiophen-2-yl)methoxy]benzamide

2,6-difluoro-3-[(4-methylthiophen-2-yl)methoxy]benzamide (PubChem CID 46237009) has the molecular formula C13H11F2NO2S and a molecular weight of 283.30 g/mol. Its IUPAC name is 2,6-difluoro-3-[(4-methylthiophen-2-yl)methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[(4-methylthiophen-2-yl)methoxy]benzamide
PubChem CID46237009
Molecular FormulaC13H11F2NO2S
Molecular Weight283.30 g/mol
Exact Mass283.05
IUPAC Name2,6-difluoro-3-[(4-methylthiophen-2-yl)methoxy]benzamide
SMILESCc1csc(COc2ccc(F)c(C(N)=O)c2F)c1
InChIInChI=1S/C13H11F2NO2S/c1-7-4-8(19-6-7)5-18-10-3-2-9(14)11(12(10)15)13(16)17/h2-4,6H,5H2,1H3,(H2,16,17)
InChIKeyHKIQGLVYNNMVMM-UHFFFAOYSA-N
XLogP3.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[(4-methylthiophen-2-yl)methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[(4-methylthiophen-2-yl)methoxy]benzamide (CID 46237009) is 2,6-difluoro-3-[(4-methylthiophen-2-yl)methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[(4-methylthiophen-2-yl)methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[(4-methylthiophen-2-yl)methoxy]benzamide is Cc1csc(COc2ccc(F)c(C(N)=O)c2F)c1.
What is the InChIKey of 2,6-difluoro-3-[(4-methylthiophen-2-yl)methoxy]benzamide?
The InChIKey is HKIQGLVYNNMVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2S/c1-7-4-8(19-6-7)5-18-10-3-2-9(14)11(12(10)15)13(16)17/h2-4,6H,5H2,1H3,(H2,16,17).
What are the key properties of 2,6-difluoro-3-[(4-methylthiophen-2-yl)methoxy]benzamide?
2,6-difluoro-3-[(4-methylthiophen-2-yl)methoxy]benzamide has a molecular weight of 283.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[(4-methylthiophen-2-yl)methoxy]benzamide is sourced from PubChem (CID 46237009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).