4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide

C14H16FNO3S — CID 103850889

IUPAC4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCOCC(CCO)NC(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C14H16FNO3S/c1-19-8-9(5-6-17)16-14(18)13-7-10-11(15)3-2-4-12(10)20-13/h2-4,7,9,17H,5-6,8H2,1H3,(H,16,18)
InChIKeyQCYQVTUMSMAFAS-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.17
Rot. Bonds6

About 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide

4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide (PubChem CID 103850889) has the molecular formula C14H16FNO3S and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide
PubChem CID103850889
Molecular FormulaC14H16FNO3S
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC Name4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCOCC(CCO)NC(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C14H16FNO3S/c1-19-8-9(5-6-17)16-14(18)13-7-10-11(15)3-2-4-12(10)20-13/h2-4,7,9,17H,5-6,8H2,1H3,(H,16,18)
InChIKeyQCYQVTUMSMAFAS-UHFFFAOYSA-N
XLogP2.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide
CID 30481509
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 106162895
methyl (2R)-2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoate
CID 51681533
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide
CID 103850864
4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151971
5-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide
CID 103799470
4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 9118932
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
CID 113264488
3-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106108110
N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 30372793
2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799437
N-(1-bromo-3-methoxypropan-2-yl)-1-benzothiophene-2-carboxamide
CID 114155290

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide (CID 103850889) is 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide is COCC(CCO)NC(=O)c1cc2c(F)cccc2s1.
What is the InChIKey of 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is QCYQVTUMSMAFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S/c1-19-8-9(5-6-17)16-14(18)13-7-10-11(15)3-2-4-12(10)20-13/h2-4,7,9,17H,5-6,8H2,1H3,(H,16,18).
What are the key properties of 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide?
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 297.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 103850889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).