3-chloro-6-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide

C15H11ClN2OS — CID 841647

IUPAC3-chloro-6-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(Cl)c(C(=O)Nc3cccnc3)sc2c1
InChIInChI=1S/C15H11ClN2OS/c1-9-4-5-11-12(7-9)20-14(13(11)16)15(19)18-10-3-2-6-17-8-10/h2-8H,1H3,(H,18,19)
InChIKeyANXUAMWXFVTWBE-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.51
Rot. Bonds2

About 3-chloro-6-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide

3-chloro-6-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide (PubChem CID 841647) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 3-chloro-6-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
PubChem CID841647
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name3-chloro-6-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(Cl)c(C(=O)Nc3cccnc3)sc2c1
InChIInChI=1S/C15H11ClN2OS/c1-9-4-5-11-12(7-9)20-14(13(11)16)15(19)18-10-3-2-6-17-8-10/h2-8H,1H3,(H,18,19)
InChIKeyANXUAMWXFVTWBE-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide (CID 841647) is 3-chloro-6-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide is Cc1ccc2c(Cl)c(C(=O)Nc3cccnc3)sc2c1.
What is the InChIKey of 3-chloro-6-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
The InChIKey is ANXUAMWXFVTWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c1-9-4-5-11-12(7-9)20-14(13(11)16)15(19)18-10-3-2-6-17-8-10/h2-8H,1H3,(H,18,19).
What are the key properties of 3-chloro-6-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide?
3-chloro-6-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide has a molecular weight of 302.79 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 841647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).