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

C19H20FNO3S — CID 45210080

IUPACN-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide
SMILESCCCC(=O)NCC1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1
InChIInChI=1S/C19H20FNO3S/c1-3-4-18(23)21-10-14-8-12-7-13(20)9-15(19(12)24-14)17-6-5-16(25-17)11(2)22/h5-7,9,14H,3-4,8,10H2,1-2H3,(H,21,23)
InChIKeyXVKJJIQVZHCWOD-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.98
Rot. Bonds6

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

N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide (PubChem CID 45210080) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide
PubChem CID45210080
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC NameN-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide
SMILESCCCC(=O)NCC1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1
InChIInChI=1S/C19H20FNO3S/c1-3-4-18(23)21-10-14-8-12-7-13(20)9-15(19(12)24-14)17-6-5-16(25-17)11(2)22/h5-7,9,14H,3-4,8,10H2,1-2H3,(H,21,23)
InChIKeyXVKJJIQVZHCWOD-UHFFFAOYSA-N
XLogP3.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]butanamide?
The IUPAC name of N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide (CID 45210080) is N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide.
What is the SMILES notation for N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide?
The canonical SMILES for N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide is CCCC(=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]butanamide?
The InChIKey is XVKJJIQVZHCWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3S/c1-3-4-18(23)21-10-14-8-12-7-13(20)9-15(19(12)24-14)17-6-5-16(25-17)11(2)22/h5-7,9,14H,3-4,8,10H2,1-2H3,(H,21,23).
What are the key properties of N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide?
N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide has a molecular weight of 361.44 g/mol, XLogP of 3.98, 6 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]butanamide is sourced from PubChem (CID 45210080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).