N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide

C14H11FN2OS — CID 75504594

IUPACN-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1ncccc1F)C1CSc2ccccc21
InChIInChI=1S/C14H11FN2OS/c15-11-5-3-7-16-13(11)17-14(18)10-8-19-12-6-2-1-4-9(10)12/h1-7,10H,8H2,(H,16,17,18)
InChIKeyTVZLMPIYQDQODR-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.05
Rot. Bonds2

About N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide

N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 75504594) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID75504594
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC NameN-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1ncccc1F)C1CSc2ccccc21
InChIInChI=1S/C14H11FN2OS/c15-11-5-3-7-16-13(11)17-14(18)10-8-19-12-6-2-1-4-9(10)12/h1-7,10H,8H2,(H,16,17,18)
InChIKeyTVZLMPIYQDQODR-UHFFFAOYSA-N
XLogP3.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 75504594) is N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is O=C(Nc1ncccc1F)C1CSc2ccccc21.
What is the InChIKey of N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is TVZLMPIYQDQODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c15-11-5-3-7-16-13(11)17-14(18)10-8-19-12-6-2-1-4-9(10)12/h1-7,10H,8H2,(H,16,17,18).
What are the key properties of N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 75504594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).