5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide

C13H14FNO2S — CID 43391508

IUPAC5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C13H14FNO2S/c1-13(2,7-16)15-12(17)11-6-8-5-9(14)3-4-10(8)18-11/h3-6,16H,7H2,1-2H3,(H,15,17)
InChIKeyYHTDRNWFTJMWFE-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.54
Rot. Bonds3

About 5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide

5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide (PubChem CID 43391508) has the molecular formula C13H14FNO2S and a molecular weight of 267.32 g/mol. Its IUPAC name is 5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide
PubChem CID43391508
Molecular FormulaC13H14FNO2S
Molecular Weight267.32 g/mol
Exact Mass267.07
IUPAC Name5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C13H14FNO2S/c1-13(2,7-16)15-12(17)11-6-8-5-9(14)3-4-10(8)18-11/h3-6,16H,7H2,1-2H3,(H,15,17)
InChIKeyYHTDRNWFTJMWFE-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 66170627
N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119627888
5-fluoro-N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43391475
5-fluoro-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 18110082
5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 103919162
ethyl 5-fluoro-1-benzothiophene-2-carboxylate
CID 23261724
5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 27259768
5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 120830486
2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 65100569
3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43390562
(2S)-2-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]pentanoic acid
CID 107564702
4-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80539107

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide (CID 43391508) is 5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide is CC(C)(CO)NC(=O)c1cc2cc(F)ccc2s1.
What is the InChIKey of 5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is YHTDRNWFTJMWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S/c1-13(2,7-16)15-12(17)11-6-8-5-9(14)3-4-10(8)18-11/h3-6,16H,7H2,1-2H3,(H,15,17).
What are the key properties of 5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide?
5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 267.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 43391508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).