N-(6-chlorohexyl)-1-benzothiophene-3-carboxamide

C15H18ClNOS — CID 114008448

IUPACN-(6-chlorohexyl)-1-benzothiophene-3-carboxamide
SMILESO=C(NCCCCCCCl)c1csc2ccccc12
InChIInChI=1S/C15H18ClNOS/c16-9-5-1-2-6-10-17-15(18)13-11-19-14-8-4-3-7-12(13)14/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,17,18)
InChIKeyUZRDGVTWQLTLFQ-UHFFFAOYSA-N
MW295.83 g/mol
LogP4.43
Rot. Bonds7

About N-(6-chlorohexyl)-1-benzothiophene-3-carboxamide

N-(6-chlorohexyl)-1-benzothiophene-3-carboxamide (PubChem CID 114008448) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is N-(6-chlorohexyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(6-chlorohexyl)-1-benzothiophene-3-carboxamide
PubChem CID114008448
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC NameN-(6-chlorohexyl)-1-benzothiophene-3-carboxamide
SMILESO=C(NCCCCCCCl)c1csc2ccccc12
InChIInChI=1S/C15H18ClNOS/c16-9-5-1-2-6-10-17-15(18)13-11-19-14-8-4-3-7-12(13)14/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,17,18)
InChIKeyUZRDGVTWQLTLFQ-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

N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide
CID 55012748
N-(4-chloropentyl)-1-benzothiophene-3-carboxamide
CID 114147435
N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 13058563
N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide
CID 60545184
N-[(E)-4-chlorobut-2-enyl]-1-benzothiophene-3-carboxamide
CID 81430199
2-chloro-N-(4-chlorobutyl)benzamide
CID 106845467
N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide
CID 1247032
N-[2-(chloromethyl)phenyl]-1-benzothiophene-3-carboxamide
CID 114298566
N-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide
CID 122148632
N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide
CID 83030979
N-[3-(2-methyltriazol-4-yl)propyl]-1-benzothiophene-3-carboxamide
CID 122136233
N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide
CID 17173127

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(6-chlorohexyl)-1-benzothiophene-3-carboxamide (CID 114008448) is N-(6-chlorohexyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(6-chlorohexyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(6-chlorohexyl)-1-benzothiophene-3-carboxamide is O=C(NCCCCCCCl)c1csc2ccccc12.
What is the InChIKey of N-(6-chlorohexyl)-1-benzothiophene-3-carboxamide?
The InChIKey is UZRDGVTWQLTLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c16-9-5-1-2-6-10-17-15(18)13-11-19-14-8-4-3-7-12(13)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-3-carboxamide?
N-(6-chlorohexyl)-1-benzothiophene-3-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-3-carboxamide is sourced from PubChem (CID 114008448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).