4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide

C15H18FNOS — CID 33141822

IUPAC4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide
SMILESCCCCCNC(=O)c1sc2cccc(F)c2c1C
InChIInChI=1S/C15H18FNOS/c1-3-4-5-9-17-15(18)14-10(2)13-11(16)7-6-8-12(13)19-14/h6-8H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyGEQUXYLFDHPICS-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.27
Rot. Bonds5

About 4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide

4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide (PubChem CID 33141822) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide
PubChem CID33141822
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide
SMILESCCCCCNC(=O)c1sc2cccc(F)c2c1C
InChIInChI=1S/C15H18FNOS/c1-3-4-5-9-17-15(18)14-10(2)13-11(16)7-6-8-12(13)19-14/h6-8H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyGEQUXYLFDHPICS-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 43393128
N-(3-amino-2-methylpropyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 119995209
4-fluoro-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 103723279
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 103877257
(2S)-2-[(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)amino]pentanoic acid
CID 107564324
3-amino-4-bromo-N-hexyl-1-benzothiophene-2-carboxamide
CID 114889180
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 66004913
4-fluoro-3-methyl-N-[(2S)-2-phenylpropyl]-1-benzothiophene-2-carboxamide
CID 9457233
N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 26721964
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 86938826
4-fluoro-N-(2-fluorophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8777289
3-amino-4-fluoro-N-(3-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 79510954

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide (CID 33141822) is 4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide is CCCCCNC(=O)c1sc2cccc(F)c2c1C.
What is the InChIKey of 4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide?
The InChIKey is GEQUXYLFDHPICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-3-4-5-9-17-15(18)14-10(2)13-11(16)7-6-8-12(13)19-14/h6-8H,3-5,9H2,1-2H3,(H,17,18).
What are the key properties of 4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide?
4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 33141822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).