N-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide

C18H15FN2O2S — CID 39573905

IUPACN-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2cc3c(F)cccc3s2)c1
InChIInChI=1S/C18H15FN2O2S/c1-11(22)21-13-5-2-4-12(8-13)10-20-18(23)17-9-14-15(19)6-3-7-16(14)24-17/h2-9H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyIZQNIZWBSZSFTR-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.93
Rot. Bonds4

About N-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide

N-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 39573905) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide
PubChem CID39573905
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC NameN-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2cc3c(F)cccc3s2)c1
InChIInChI=1S/C18H15FN2O2S/c1-11(22)21-13-5-2-4-12(8-13)10-20-18(23)17-9-14-15(19)6-3-7-16(14)24-17/h2-9H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyIZQNIZWBSZSFTR-UHFFFAOYSA-N
XLogP3.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9455401
N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43057862
N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide
CID 71995172
4-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9166306
N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 30664998
4-fluoro-N-(2-hydroxy-3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 115744570
N-[[2-(ethoxymethyl)phenyl]methyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43062587
4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 30752027
3-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172399
N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 39573373
N-[(3-acetamidophenyl)methyl]-2-[[(2R)-butan-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 11439408
N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide
CID 119706274

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide (CID 39573905) is N-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide is CC(=O)Nc1cccc(CNC(=O)c2cc3c(F)cccc3s2)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is IZQNIZWBSZSFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-11(22)21-13-5-2-4-12(8-13)10-20-18(23)17-9-14-15(19)6-3-7-16(14)24-17/h2-9H,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide?
N-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 39573905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).