6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide

C15H17FN2OS — CID 81105185

IUPAC6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCC1CCNC1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H17FN2OS/c16-12-2-1-11-7-14(20-13(11)8-12)15(19)18-6-4-10-3-5-17-9-10/h1-2,7-8,10,17H,3-6,9H2,(H,18,19)
InChIKeyXLWIWOZPZPWYGC-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.77
Rot. Bonds4

About 6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide

6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 81105185) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide
PubChem CID81105185
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCC1CCNC1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H17FN2OS/c16-12-2-1-11-7-14(20-13(11)8-12)15(19)18-6-4-10-3-5-17-9-10/h1-2,7-8,10,17H,3-6,9H2,(H,18,19)
InChIKeyXLWIWOZPZPWYGC-UHFFFAOYSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide
CID 104982451
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride
CID 119534635
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
4-(4-fluorophenyl)-5-methyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119559585
N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870
5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537854
4-(4-methoxyphenyl)-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119533300
6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide
CID 78913758

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide (CID 81105185) is 6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide is O=C(NCCC1CCNC1)c1cc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is XLWIWOZPZPWYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c16-12-2-1-11-7-14(20-13(11)8-12)15(19)18-6-4-10-3-5-17-9-10/h1-2,7-8,10,17H,3-6,9H2,(H,18,19).
What are the key properties of 6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide?
6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 81105185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).