2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-2-ylcarbamoyl)acetamide

C17H15N5O2S — CID 118418590

IUPAC2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-2-ylcarbamoyl)acetamide
SMILESCc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccn1
InChIInChI=1S/C17H15N5O2S/c1-11-16(20-13-7-3-2-6-12(13)19-11)25-10-15(23)22-17(24)21-14-8-4-5-9-18-14/h2-9H,10H2,1H3,(H2,18,21,22,23,24)
InChIKeyNXJNSTYOCLZQNL-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.77
Rot. Bonds4

About 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-2-ylcarbamoyl)acetamide

2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-2-ylcarbamoyl)acetamide (PubChem CID 118418590) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-2-ylcarbamoyl)acetamide
PubChem CID118418590
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-2-ylcarbamoyl)acetamide
SMILESCc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccn1
InChIInChI=1S/C17H15N5O2S/c1-11-16(20-13-7-3-2-6-12(13)19-11)25-10-15(23)22-17(24)21-14-8-4-5-9-18-14/h2-9H,10H2,1H3,(H2,18,21,22,23,24)
InChIKeyNXJNSTYOCLZQNL-UHFFFAOYSA-N
XLogP2.77
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-2-ylcarbamoyl)acetamide (CID 118418590) is 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-2-ylcarbamoyl)acetamide is Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccn1.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-2-ylcarbamoyl)acetamide?
The InChIKey is NXJNSTYOCLZQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-11-16(20-13-7-3-2-6-12(13)19-11)25-10-15(23)22-17(24)21-14-8-4-5-9-18-14/h2-9H,10H2,1H3,(H2,18,21,22,23,24).
What are the key properties of 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-2-ylcarbamoyl)acetamide?
2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-2-ylcarbamoyl)acetamide has a molecular weight of 353.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 118418590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).