6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide

C13H14FNO3S — CID 78913758

IUPAC6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCCOCCO)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H14FNO3S/c14-10-2-1-9-7-12(19-11(9)8-10)13(17)15-3-5-18-6-4-16/h1-2,7-8,16H,3-6H2,(H,15,17)
InChIKeyIULUFZACKXJUIH-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.78
Rot. Bonds6

About 6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide

6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 78913758) has the molecular formula C13H14FNO3S and a molecular weight of 283.32 g/mol. Its IUPAC name is 6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID78913758
Molecular FormulaC13H14FNO3S
Molecular Weight283.32 g/mol
Exact Mass283.07
IUPAC Name6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCCOCCO)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H14FNO3S/c14-10-2-1-9-7-12(19-11(9)8-10)13(17)15-3-5-18-6-4-16/h1-2,7-8,16H,3-6H2,(H,15,17)
InChIKeyIULUFZACKXJUIH-UHFFFAOYSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-N-(3-iodopropyl)-1-benzothiophene-2-carboxamide
CID 114503955
6-fluoro-N-[2-(propan-2-ylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 81105182
N-(2-azidoethyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104542
N-(2,3-dihydroxypropyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104594
N-(5-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 106157587
6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 29205600
N-(5-amino-5-sulfanylidenepentyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104862
6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide
CID 81104803
N-(2-amino-2-sulfanylideneethyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104448
N-(4-azidobutyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 114182201
6-fluoro-N-[(2-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 115735462
5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 103919162

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide (CID 78913758) is 6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide is O=C(NCCOCCO)c1cc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is IULUFZACKXJUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S/c14-10-2-1-9-7-12(19-11(9)8-10)13(17)15-3-5-18-6-4-16/h1-2,7-8,16H,3-6H2,(H,15,17).
What are the key properties of 6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide?
6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 283.32 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 78913758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).