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

C19H17FN2O2S — CID 43057862

IUPACN-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2cc3c(F)cccc3s2)c1
InChIInChI=1S/C19H17FN2O2S/c1-11(13-5-3-6-14(9-13)22-12(2)23)21-19(24)18-10-15-16(20)7-4-8-17(15)25-18/h3-11H,1-2H3,(H,21,24)(H,22,23)
InChIKeyWXUITUSGNDHBRO-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.49
Rot. Bonds4

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

N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 43057862) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
PubChem CID43057862
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2cc3c(F)cccc3s2)c1
InChIInChI=1S/C19H17FN2O2S/c1-11(13-5-3-6-14(9-13)22-12(2)23)21-19(24)18-10-15-16(20)7-4-8-17(15)25-18/h3-11H,1-2H3,(H,21,24)(H,22,23)
InChIKeyWXUITUSGNDHBRO-UHFFFAOYSA-N
XLogP4.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55963207
N-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 39573905
4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 9118932
N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide
CID 46598763
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
methyl (2R)-2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoate
CID 51681533
N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide
CID 95292299
(5R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 37462538
N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide
CID 55585286
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide
CID 51942414
N-[(1R)-1-(3-acetamidophenyl)ethyl]-2-hydroxybenzamide
CID 38518872

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide (CID 43057862) is N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide is CC(=O)Nc1cccc(C(C)NC(=O)c2cc3c(F)cccc3s2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is WXUITUSGNDHBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-11(13-5-3-6-14(9-13)22-12(2)23)21-19(24)18-10-15-16(20)7-4-8-17(15)25-18/h3-11H,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide?
N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 43057862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).