5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide

C17H24N2OS — CID 61476113

IUPAC5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide
SMILESCCCCCCC(C)NC(=O)c1cc2cc(N)ccc2s1
InChIInChI=1S/C17H24N2OS/c1-3-4-5-6-7-12(2)19-17(20)16-11-13-10-14(18)8-9-15(13)21-16/h8-12H,3-7,18H2,1-2H3,(H,19,20)
InChIKeyAPTODDMGESFNKG-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.57
Rot. Bonds7

About 5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide

5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 61476113) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide
PubChem CID61476113
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide
SMILESCCCCCCC(C)NC(=O)c1cc2cc(N)ccc2s1
InChIInChI=1S/C17H24N2OS/c1-3-4-5-6-7-12(2)19-17(20)16-11-13-10-14(18)8-9-15(13)21-16/h8-12H,3-7,18H2,1-2H3,(H,19,20)
InChIKeyAPTODDMGESFNKG-UHFFFAOYSA-N
XLogP4.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-N-hydroxy-1-benzothiophene-2-carboxamide;ethane
CID 143296605
5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide
CID 102694291
5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 107843229
5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 61138958
5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide
CID 113303500
ethyl 2-[(5-amino-1-benzothiophene-2-carbonyl)amino]acetate
CID 61102517
5-amino-N-octan-2-yl-1H-indole-3-carboxamide
CID 63116814
N-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119665559
(2S)-2-(1-benzothiophene-2-carbonylamino)hexanoic acid
CID 107144524
5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 61094816
2-methylbutyl 5-amino-1-benzothiophene-2-carboxylate
CID 62105155
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)-1-benzothiophene-2-carboxamide
CID 115357836

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide (CID 61476113) is 5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide is CCCCCCC(C)NC(=O)c1cc2cc(N)ccc2s1.
What is the InChIKey of 5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide?
The InChIKey is APTODDMGESFNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-4-5-6-7-12(2)19-17(20)16-11-13-10-14(18)8-9-15(13)21-16/h8-12H,3-7,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide?
5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 61476113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).