5-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-1-benzothiophene-2-carboxamide

C14H14FNO3S — CID 103849224

IUPAC5-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1(O)CCOC1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H14FNO3S/c15-10-1-2-11-9(5-10)6-12(20-11)13(17)16-7-14(18)3-4-19-8-14/h1-2,5-6,18H,3-4,7-8H2,(H,16,17)
InChIKeyVKLNWMNJPSITMO-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.92
Rot. Bonds3

About 5-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-1-benzothiophene-2-carboxamide

5-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 103849224) has the molecular formula C14H14FNO3S and a molecular weight of 295.33 g/mol. Its IUPAC name is 5-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID103849224
Molecular FormulaC14H14FNO3S
Molecular Weight295.33 g/mol
Exact Mass295.07
IUPAC Name5-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1(O)CCOC1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H14FNO3S/c15-10-1-2-11-9(5-10)6-12(20-11)13(17)16-7-14(18)3-4-19-8-14/h1-2,5-6,18H,3-4,7-8H2,(H,16,17)
InChIKeyVKLNWMNJPSITMO-UHFFFAOYSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-1-benzothiophene-2-carboxamide (CID 103849224) is 5-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-1-benzothiophene-2-carboxamide is O=C(NCC1(O)CCOC1)c1cc2cc(F)ccc2s1.
What is the InChIKey of 5-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is VKLNWMNJPSITMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c15-10-1-2-11-9(5-10)6-12(20-11)13(17)16-7-14(18)3-4-19-8-14/h1-2,5-6,18H,3-4,7-8H2,(H,16,17).
What are the key properties of 5-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-1-benzothiophene-2-carboxamide?
5-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 295.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 103849224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).