3-chloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide

C15H11ClN2OS — CID 698273

IUPAC3-chloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccnc(NC(=O)c2sc3ccccc3c2Cl)c1
InChIInChI=1S/C15H11ClN2OS/c1-9-6-7-17-12(8-9)18-15(19)14-13(16)10-4-2-3-5-11(10)20-14/h2-8H,1H3,(H,17,18,19)
InChIKeyYGVSITNXBOVTTQ-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.51
Rot. Bonds2

About 3-chloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide

3-chloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (PubChem CID 698273) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 3-chloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
PubChem CID698273
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name3-chloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccnc(NC(=O)c2sc3ccccc3c2Cl)c1
InChIInChI=1S/C15H11ClN2OS/c1-9-6-7-17-12(8-9)18-15(19)14-13(16)10-4-2-3-5-11(10)20-14/h2-8H,1H3,(H,17,18,19)
InChIKeyYGVSITNXBOVTTQ-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-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (CID 698273) is 3-chloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is Cc1ccnc(NC(=O)c2sc3ccccc3c2Cl)c1.
What is the InChIKey of 3-chloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The InChIKey is YGVSITNXBOVTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c1-9-6-7-17-12(8-9)18-15(19)14-13(16)10-4-2-3-5-11(10)20-14/h2-8H,1H3,(H,17,18,19).
What are the key properties of 3-chloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(4-methyl-2-pyridinyl)-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-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 698273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).