2-(5-chlorothiophen-2-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-oxoacetamide

C13H11ClN2O3S — CID 100632732

IUPAC2-(5-chlorothiophen-2-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-oxoacetamide
SMILESCCn1cc(NC(=O)C(=O)c2ccc(Cl)s2)ccc1=O
InChIInChI=1S/C13H11ClN2O3S/c1-2-16-7-8(3-6-11(16)17)15-13(19)12(18)9-4-5-10(14)20-9/h3-7H,2H2,1H3,(H,15,19)
InChIKeyNKMOWUVCLOZVQY-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.40
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-oxoacetamide

2-(5-chlorothiophen-2-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-oxoacetamide (PubChem CID 100632732) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-oxoacetamide
PubChem CID100632732
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-oxoacetamide
SMILESCCn1cc(NC(=O)C(=O)c2ccc(Cl)s2)ccc1=O
InChIInChI=1S/C13H11ClN2O3S/c1-2-16-7-8(3-6-11(16)17)15-13(19)12(18)9-4-5-10(14)20-9/h3-7H,2H2,1H3,(H,15,19)
InChIKeyNKMOWUVCLOZVQY-UHFFFAOYSA-N
XLogP2.40
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-oxoacetamide (CID 100632732) is 2-(5-chlorothiophen-2-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-oxoacetamide is CCn1cc(NC(=O)C(=O)c2ccc(Cl)s2)ccc1=O.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-oxoacetamide?
The InChIKey is NKMOWUVCLOZVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-2-16-7-8(3-6-11(16)17)15-13(19)12(18)9-4-5-10(14)20-9/h3-7H,2H2,1H3,(H,15,19).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-oxoacetamide?
2-(5-chlorothiophen-2-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-oxoacetamide has a molecular weight of 310.76 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 100632732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).