5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide

C14H15F2NO2S — CID 143915487

IUPAC5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide
SMILESCC(C)(O)c1cc(F)c(C2=CC(C(N)=O)CS2)c(F)c1
InChIInChI=1S/C14H15F2NO2S/c1-14(2,19)8-4-9(15)12(10(16)5-8)11-3-7(6-20-11)13(17)18/h3-5,7,19H,6H2,1-2H3,(H2,17,18)
InChIKeyBAQCDOAJEQQWGF-UHFFFAOYSA-N
MW299.34 g/mol
LogP2.38
Rot. Bonds3

About 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide (PubChem CID 143915487) has the molecular formula C14H15F2NO2S and a molecular weight of 299.34 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide
PubChem CID143915487
Molecular FormulaC14H15F2NO2S
Molecular Weight299.34 g/mol
Exact Mass299.08
IUPAC Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide
SMILESCC(C)(O)c1cc(F)c(C2=CC(C(N)=O)CS2)c(F)c1
InChIInChI=1S/C14H15F2NO2S/c1-14(2,19)8-4-9(15)12(10(16)5-8)11-3-7(6-20-11)13(17)18/h3-5,7,19H,6H2,1-2H3,(H2,17,18)
InChIKeyBAQCDOAJEQQWGF-UHFFFAOYSA-N
XLogP2.38
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide (CID 143915487) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide.
What is the SMILES notation for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide is CC(C)(O)c1cc(F)c(C2=CC(C(N)=O)CS2)c(F)c1.
What is the InChIKey of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide?
The InChIKey is BAQCDOAJEQQWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2S/c1-14(2,19)8-4-9(15)12(10(16)5-8)11-3-7(6-20-11)13(17)18/h3-5,7,19H,6H2,1-2H3,(H2,17,18).
What are the key properties of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide?
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide has a molecular weight of 299.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide is sourced from PubChem (CID 143915487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).