3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide

C15H17Cl2NO2S — CID 103919460

IUPAC3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCCCCCO)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C15H17Cl2NO2S/c16-10-5-6-11-12(9-10)21-14(13(11)17)15(20)18-7-3-1-2-4-8-19/h5-6,9,19H,1-4,7-8H2,(H,18,20)
InChIKeyMLAGQKODJNRMCA-UHFFFAOYSA-N
MW346.28 g/mol
LogP4.49
Rot. Bonds7

About 3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide

3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide (PubChem CID 103919460) has the molecular formula C15H17Cl2NO2S and a molecular weight of 346.28 g/mol. Its IUPAC name is 3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
PubChem CID103919460
Molecular FormulaC15H17Cl2NO2S
Molecular Weight346.28 g/mol
Exact Mass345.04
IUPAC Name3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCCCCCO)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C15H17Cl2NO2S/c16-10-5-6-11-12(9-10)21-14(13(11)17)15(20)18-7-3-1-2-4-8-19/h5-6,9,19H,1-4,7-8H2,(H,18,20)
InChIKeyMLAGQKODJNRMCA-UHFFFAOYSA-N
XLogP4.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,6-dichloro-N-(6-hydroxyhexyl)-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

N-(3-aminopropyl)-3,6-dichloro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119408040
3,6-dichloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-benzothiophene-2-carboxamide
CID 103800775
3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 47099946
3,6-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]-1-benzothiophene-2-carboxamide
CID 121238065
3-chloro-6-methyl-N-octyl-1-benzothiophene-2-carboxamide
CID 4081322
3-chloro-6-methyl-N-undecyl-1-benzothiophene-2-carboxamide
CID 4207704
N-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 60675704
3,6-dichloro-N-(3,3-difluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 103769879
3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)-1-benzothiophene-2-carboxamide
CID 65112198
3,6-dichloro-N-(1-hydroxypropan-2-yl)-1-benzothiophene-2-carboxamide
CID 43418822
3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 107323866
2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243664

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide (CID 103919460) is 3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide is O=C(NCCCCCCO)c1sc2cc(Cl)ccc2c1Cl.
What is the InChIKey of 3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide?
The InChIKey is MLAGQKODJNRMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2S/c16-10-5-6-11-12(9-10)21-14(13(11)17)15(20)18-7-3-1-2-4-8-19/h5-6,9,19H,1-4,7-8H2,(H,18,20).
What are the key properties of 3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide?
3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide has a molecular weight of 346.28 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 103919460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).