N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide

C21H14FNO3S — CID 139582398

IUPACN-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C21H14FNO3S/c22-15-7-5-14(6-8-15)20(25)21-19(16-3-1-2-4-17(16)26-21)23-18(24)11-13-9-10-27-12-13/h1-10,12H,11H2,(H,23,24)
InChIKeyAAKXROMWORWBNI-UHFFFAOYSA-N
MW379.41 g/mol
LogP5.05
Rot. Bonds5

About N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide

N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide (PubChem CID 139582398) has the molecular formula C21H14FNO3S and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide
PubChem CID139582398
Molecular FormulaC21H14FNO3S
Molecular Weight379.41 g/mol
Exact Mass379.07
IUPAC NameN-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C21H14FNO3S/c22-15-7-5-14(6-8-15)20(25)21-19(16-3-1-2-4-17(16)26-21)23-18(24)11-13-9-10-27-12-13/h1-10,12H,11H2,(H,23,24)
InChIKeyAAKXROMWORWBNI-UHFFFAOYSA-N
XLogP5.05
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627
3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7385792
2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 3324906
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-3-carboxamide
CID 52904616
N-(2-benzoyl-1-benzofuran-3-yl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860659
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide
CID 5192279
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860663
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide
CID 4072165
2-(4-fluorophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20925810
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 3445612
N-(2-benzoyl-1-benzofuran-3-yl)pentanamide
CID 3445962
N-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-benzofuran-3-yl]-4-fluorobenzamide
CID 23473376

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide (CID 139582398) is N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12.
What is the InChIKey of N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide?
The InChIKey is AAKXROMWORWBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO3S/c22-15-7-5-14(6-8-15)20(25)21-19(16-3-1-2-4-17(16)26-21)23-18(24)11-13-9-10-27-12-13/h1-10,12H,11H2,(H,23,24).
What are the key properties of N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide?
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide has a molecular weight of 379.41 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 139582398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).