N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

C17H16FNO3S — CID 45189209

IUPACN-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCC(=O)NCC1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1
InChIInChI=1S/C17H16FNO3S/c1-9(20)15-3-4-16(23-15)14-7-12(18)5-11-6-13(22-17(11)14)8-19-10(2)21/h3-5,7,13H,6,8H2,1-2H3,(H,19,21)
InChIKeyFAXYNUHOYLTHLF-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.20
Rot. Bonds4

About N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (PubChem CID 45189209) has the molecular formula C17H16FNO3S and a molecular weight of 333.38 g/mol. Its IUPAC name is N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
PubChem CID45189209
Molecular FormulaC17H16FNO3S
Molecular Weight333.38 g/mol
Exact Mass333.08
IUPAC NameN-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCC(=O)NCC1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1
InChIInChI=1S/C17H16FNO3S/c1-9(20)15-3-4-16(23-15)14-7-12(18)5-11-6-13(22-17(11)14)8-19-10(2)21/h3-5,7,13H,6,8H2,1-2H3,(H,19,21)
InChIKeyFAXYNUHOYLTHLF-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The IUPAC name of N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (CID 45189209) is N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The canonical SMILES for N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is CC(=O)NCC1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1.
What is the InChIKey of N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The InChIKey is FAXYNUHOYLTHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3S/c1-9(20)15-3-4-16(23-15)14-7-12(18)5-11-6-13(22-17(11)14)8-19-10(2)21/h3-5,7,13H,6,8H2,1-2H3,(H,19,21).
What are the key properties of N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide has a molecular weight of 333.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is sourced from PubChem (CID 45189209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).