3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide

C15H11ClN2OS — CID 673385

IUPAC3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1cccnc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H11ClN2OS/c16-13-11-5-1-2-6-12(11)20-14(13)15(19)18-9-10-4-3-7-17-8-10/h1-8H,9H2,(H,18,19)
InChIKeyFLKPRONUHHJNKH-UHFFFAOYSA-N
MW302.79 g/mol
LogP3.88
Rot. Bonds3

About 3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide

3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 673385) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID673385
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1cccnc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H11ClN2OS/c16-13-11-5-1-2-6-12(11)20-14(13)15(19)18-9-10-4-3-7-17-8-10/h1-8H,9H2,(H,18,19)
InChIKeyFLKPRONUHHJNKH-UHFFFAOYSA-N
XLogP3.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide (CID 673385) is 3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide is O=C(NCc1cccnc1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is FLKPRONUHHJNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-13-11-5-1-2-6-12(11)20-14(13)15(19)18-9-10-4-3-7-17-8-10/h1-8H,9H2,(H,18,19).
What are the key properties of 3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 302.79 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 673385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).