2-(5-chlorothiophen-2-yl)-N-(6-methyl-2-pyridinyl)acetamide

C12H11ClN2OS — CID 40805013

IUPAC2-(5-chlorothiophen-2-yl)-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccc(Cl)s2)n1
InChIInChI=1S/C12H11ClN2OS/c1-8-3-2-4-11(14-8)15-12(16)7-9-5-6-10(13)17-9/h2-6H,7H2,1H3,(H,14,15,16)
InChIKeyLKZMSOYAQICXBQ-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.29
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-N-(6-methyl-2-pyridinyl)acetamide

2-(5-chlorothiophen-2-yl)-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 40805013) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID40805013
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccc(Cl)s2)n1
InChIInChI=1S/C12H11ClN2OS/c1-8-3-2-4-11(14-8)15-12(16)7-9-5-6-10(13)17-9/h2-6H,7H2,1H3,(H,14,15,16)
InChIKeyLKZMSOYAQICXBQ-UHFFFAOYSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(6-methyl-2-pyridinyl)acetamide (CID 40805013) is 2-(5-chlorothiophen-2-yl)-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(6-methyl-2-pyridinyl)acetamide is Cc1cccc(NC(=O)Cc2ccc(Cl)s2)n1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is LKZMSOYAQICXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-8-3-2-4-11(14-8)15-12(16)7-9-5-6-10(13)17-9/h2-6H,7H2,1H3,(H,14,15,16).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(6-methyl-2-pyridinyl)acetamide?
2-(5-chlorothiophen-2-yl)-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 266.75 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 40805013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).