6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide

C13H14FNOS — CID 29205600

IUPAC6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
SMILESCC(C)CNC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H14FNOS/c1-8(2)7-15-13(16)12-5-9-3-4-10(14)6-11(9)17-12/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyBGWJCEVKWCKMEP-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.43
Rot. Bonds3

About 6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide

6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide (PubChem CID 29205600) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
PubChem CID29205600
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
SMILESCC(C)CNC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H14FNOS/c1-8(2)7-15-13(16)12-5-9-3-4-10(14)6-11(9)17-12/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyBGWJCEVKWCKMEP-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 107157762
N-(2,3-dihydroxypropyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104594
6-fluoro-N-[2-(propan-2-ylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 81105182
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104472
6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide
CID 81104803
6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide
CID 81104873
N-(5-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 106157587
N-(2-amino-2-sulfanylideneethyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104448
6-fluoro-N-(3-iodopropyl)-1-benzothiophene-2-carboxamide
CID 114503955
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-one
CID 115788013
5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 120830486
ethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate
CID 78969683

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide (CID 29205600) is 6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide is CC(C)CNC(=O)c1cc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide?
The InChIKey is BGWJCEVKWCKMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-8(2)7-15-13(16)12-5-9-3-4-10(14)6-11(9)17-12/h3-6,8H,7H2,1-2H3,(H,15,16).
What are the key properties of 6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide?
6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 29205600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).