N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide

C15H18ClNOS — CID 107846874

IUPACN-(6-chlorohexyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCCCCCCl)c1cc2ccccc2s1
InChIInChI=1S/C15H18ClNOS/c16-9-5-1-2-6-10-17-15(18)14-11-12-7-3-4-8-13(12)19-14/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,17,18)
InChIKeyJBASTSJUIXQESM-UHFFFAOYSA-N
MW295.83 g/mol
LogP4.43
Rot. Bonds7

About N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide

N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide (PubChem CID 107846874) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-chlorohexyl)-1-benzothiophene-2-carboxamide
PubChem CID107846874
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC NameN-(6-chlorohexyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCCCCCCl)c1cc2ccccc2s1
InChIInChI=1S/C15H18ClNOS/c16-9-5-1-2-6-10-17-15(18)14-11-12-7-3-4-8-13(12)19-14/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,17,18)
InChIKeyJBASTSJUIXQESM-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1-benzothiophene-2-carbonylamino)pentanoic acid
CID 62033392
N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119430331
N-(3-azidopropyl)-1-benzothiophene-2-carboxamide
CID 61406843
N-(3-amino-3-sulfanylidenepropyl)-1-benzothiophene-2-carboxamide
CID 62668366
N-[[3-(chloromethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 114302345
N-[3-[4-(hydroxycarbamoyl)phenoxy]propyl]-1-benzothiophene-2-carboxamide
CID 87108183
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1-benzothiophene-2-carboxamide
CID 64519148
N-(3-aminobutyl)-1-benzothiophene-2-carboxamide
CID 63253981
N-[3-(4-methylpiperazin-1-yl)propyl]-1-benzothiophene-2-carboxamide
CID 51073450
5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 103919162
5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 107843229
N-[2-(chloromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 114298249

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide (CID 107846874) is N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide is O=C(NCCCCCCCl)c1cc2ccccc2s1.
What is the InChIKey of N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide?
The InChIKey is JBASTSJUIXQESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c16-9-5-1-2-6-10-17-15(18)14-11-12-7-3-4-8-13(12)19-14/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,17,18).
What are the key properties of N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide?
N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide has a molecular weight of 295.83 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107846874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).