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

C15H11ClN2OS — CID 4557860

IUPAC3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1cccnc1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H11ClN2OS/c1-9-5-4-8-17-14(9)18-15(19)13-12(16)10-6-2-3-7-11(10)20-13/h2-8H,1H3,(H,17,18,19)
InChIKeyPKQDOSZHMAIBHQ-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.51
Rot. Bonds2

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

3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (PubChem CID 4557860) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
PubChem CID4557860
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1cccnc1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H11ClN2OS/c1-9-5-4-8-17-14(9)18-15(19)13-12(16)10-6-2-3-7-11(10)20-13/h2-8H,1H3,(H,17,18,19)
InChIKeyPKQDOSZHMAIBHQ-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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Related Compounds

3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide
CID 1080677
5-chloro-N-pyridin-2-ylthiophene-2-carboxamide
CID 1243996
N-(5-chloropyridin-2-yl)-5-propylthiophene-3-carboxamide
CID 1246828
3-methyl-N-(5-methylpyridin-2-yl)thiophene-2-carboxamide
CID 24686059
3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 673385
3-chloro-N-(pyridin-2-yl)-1-benzothiophene-2-carboxamide
CID 805019
3-chloro-6-methyl-N-(3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 841647
N-[2-(2,6-dichlorophenyl)thieno[2,3-c]pyridin-7-yl]cyclopropanecarboxamide
CID 137655154
3-chloro-6-nitro-N-pyridin-2-yl-1-benzothiophene-2-carboxamide
CID 739872
2-chloro-N-(5-methylpyridin-2-yl)-5-methylsulfanylbenzamide
CID 1224965
3-chloro-4-fluoro-N-pyridin-2-yl-1-benzothiophene-2-carboxamide
CID 1244206
6-methyl-N-2-pyridinyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2970481

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (CID 4557860) is 3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is Cc1cccnc1NC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The InChIKey is PKQDOSZHMAIBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c1-9-5-4-8-17-14(9)18-15(19)13-12(16)10-6-2-3-7-11(10)20-13/h2-8H,1H3,(H,17,18,19).
What are the key properties of 3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(3-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-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 4557860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).