4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide

C18H16FNOS — CID 24539845

IUPAC4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccccc2)sc2cccc(F)c12
InChIInChI=1S/C18H16FNOS/c1-11-16-14(19)9-6-10-15(16)22-17(11)18(21)20-12(2)13-7-4-3-5-8-13/h3-10,12H,1-2H3,(H,20,21)
InChIKeyYILOSKLKNQYRSL-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.84
Rot. Bonds3

About 4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide

4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 24539845) has the molecular formula C18H16FNOS and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide
PubChem CID24539845
Molecular FormulaC18H16FNOS
Molecular Weight313.40 g/mol
Exact Mass313.09
IUPAC Name4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccccc2)sc2cccc(F)c12
InChIInChI=1S/C18H16FNOS/c1-11-16-14(19)9-6-10-15(16)22-17(11)18(21)20-12(2)13-7-4-3-5-8-13/h3-10,12H,1-2H3,(H,20,21)
InChIKeyYILOSKLKNQYRSL-UHFFFAOYSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-methyl-N-[(2S)-2-phenylpropyl]-1-benzothiophene-2-carboxamide
CID 9457233
N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide
CID 18196797
(2S)-2-[(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)amino]pentanoic acid
CID 107564324
4-fluoro-N-(2-fluorophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8777289
N-[1-(3,4-difluorophenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 24503597
methyl 2-[(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)amino]-3-hydroxypropanoate
CID 43408404
N-(3-amino-2-methylpropyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 119995209
4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 43393128
3-methylsulfanyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide
CID 54035615
N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8776857
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 18270241
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide (CID 24539845) is 4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NC(C)c2ccccc2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is YILOSKLKNQYRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNOS/c1-11-16-14(19)9-6-10-15(16)22-17(11)18(21)20-12(2)13-7-4-3-5-8-13/h3-10,12H,1-2H3,(H,20,21).
What are the key properties of 4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide?
4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24539845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).