5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide

C15H18FNO2S — CID 103919162

IUPAC5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCCCCCO)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H18FNO2S/c16-12-5-6-13-11(9-12)10-14(20-13)15(19)17-7-3-1-2-4-8-18/h5-6,9-10,18H,1-4,7-8H2,(H,17,19)
InChIKeyBXKINOZHBLVDGZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.32
Rot. Bonds7

About 5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide

5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide (PubChem CID 103919162) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is 5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
PubChem CID103919162
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC Name5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCCCCCO)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H18FNO2S/c16-12-5-6-13-11(9-12)10-14(20-13)15(19)17-7-3-1-2-4-8-18/h5-6,9-10,18H,1-4,7-8H2,(H,17,19)
InChIKeyBXKINOZHBLVDGZ-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 107843229
5-fluoro-N-[2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 121177214
4-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80539107
5-fluoro-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 18110082
N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119627888
6-fluoro-N-(3-iodopropyl)-1-benzothiophene-2-carboxamide
CID 114503955
N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 66170627
N-[2-(cyclohexylamino)ethyl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 19008852
N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide
CID 107846874
5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 27259768
5-fluoro-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-1-benzothiophene-2-carboxamide
CID 91813859
N-(5-amino-5-sulfanylidenepentyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104862

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide (CID 103919162) is 5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide is O=C(NCCCCCCO)c1cc2cc(F)ccc2s1.
What is the InChIKey of 5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide?
The InChIKey is BXKINOZHBLVDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S/c16-12-5-6-13-11(9-12)10-14(20-13)15(19)17-7-3-1-2-4-8-18/h5-6,9-10,18H,1-4,7-8H2,(H,17,19).
What are the key properties of 5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide?
5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 103919162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).