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

C15H20N2O2S — CID 107843229

IUPAC5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
SMILESNc1ccc2sc(C(=O)NCCCCCCO)cc2c1
InChIInChI=1S/C15H20N2O2S/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,1-4,7-8,16H2,(H,17,19)
InChIKeyMMEAMUJACMKAQE-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.77
Rot. Bonds7

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

5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide (PubChem CID 107843229) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
PubChem CID107843229
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
SMILESNc1ccc2sc(C(=O)NCCCCCCO)cc2c1
InChIInChI=1S/C15H20N2O2S/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,1-4,7-8,16H2,(H,17,19)
InChIKeyMMEAMUJACMKAQE-UHFFFAOYSA-N
XLogP2.77
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 103919162
5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide
CID 61093849
5-amino-N-(3,3,3-trifluoropropyl)-1-benzothiophene-2-carboxamide
CID 55174937
5-amino-N-(2-cyclopentylethyl)-1-benzothiophene-2-carboxamide
CID 61102153
5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide
CID 113303500
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)-1-benzothiophene-2-carboxamide
CID 115357836
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 62977734
5-amino-N-hydroxy-1-benzothiophene-2-carboxamide;ethane
CID 143296605
5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 61095095
N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide
CID 107846874
ethyl 2-[(5-amino-1-benzothiophene-2-carbonyl)amino]acetate
CID 61102517
5-amino-N-[(4-chlorophenyl)methyl]-1-benzothiophene-2-carboxamide
CID 61095308

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide (CID 107843229) is 5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide is Nc1ccc2sc(C(=O)NCCCCCCO)cc2c1.
What is the InChIKey of 5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide?
The InChIKey is MMEAMUJACMKAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/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,1-4,7-8,16H2,(H,17,19).
What are the key properties of 5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide?
5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107843229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).