2-(3-methylquinoxalin-2-yl)sulfanyl-N-(phenylcarbamoyl)acetamide

C18H16N4O2S — CID 35502062

IUPAC2-(3-methylquinoxalin-2-yl)sulfanyl-N-(phenylcarbamoyl)acetamide
SMILESCc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C18H16N4O2S/c1-12-17(21-15-10-6-5-9-14(15)19-12)25-11-16(23)22-18(24)20-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,20,22,23,24)
InChIKeyHDMAOPPDDJHKAZ-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.38
Rot. Bonds4

About 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(phenylcarbamoyl)acetamide

2-(3-methylquinoxalin-2-yl)sulfanyl-N-(phenylcarbamoyl)acetamide (PubChem CID 35502062) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(phenylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)sulfanyl-N-(phenylcarbamoyl)acetamide
PubChem CID35502062
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name2-(3-methylquinoxalin-2-yl)sulfanyl-N-(phenylcarbamoyl)acetamide
SMILESCc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C18H16N4O2S/c1-12-17(21-15-10-6-5-9-14(15)19-12)25-11-16(23)22-18(24)20-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,20,22,23,24)
InChIKeyHDMAOPPDDJHKAZ-UHFFFAOYSA-N
XLogP3.38
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(phenylcarbamoyl)acetamide?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(phenylcarbamoyl)acetamide (CID 35502062) is 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(phenylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(phenylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(phenylcarbamoyl)acetamide is Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(phenylcarbamoyl)acetamide?
The InChIKey is HDMAOPPDDJHKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-12-17(21-15-10-6-5-9-14(15)19-12)25-11-16(23)22-18(24)20-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,20,22,23,24).
What are the key properties of 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(phenylcarbamoyl)acetamide?
2-(3-methylquinoxalin-2-yl)sulfanyl-N-(phenylcarbamoyl)acetamide has a molecular weight of 352.42 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(phenylcarbamoyl)acetamide is sourced from PubChem (CID 35502062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).