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

C17H15N5O2S — CID 118418579

IUPAC2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-3-ylcarbamoyl)acetamide
SMILESCc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1cccnc1
InChIInChI=1S/C17H15N5O2S/c1-11-16(21-14-7-3-2-6-13(14)19-11)25-10-15(23)22-17(24)20-12-5-4-8-18-9-12/h2-9H,10H2,1H3,(H2,20,22,23,24)
InChIKeyPMNJLMNHDCPDRG-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.77
Rot. Bonds4

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

2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-3-ylcarbamoyl)acetamide (PubChem CID 118418579) 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-3-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-3-ylcarbamoyl)acetamide
PubChem CID118418579
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-3-ylcarbamoyl)acetamide
SMILESCc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1cccnc1
InChIInChI=1S/C17H15N5O2S/c1-11-16(21-14-7-3-2-6-13(14)19-11)25-10-15(23)22-17(24)20-12-5-4-8-18-9-12/h2-9H,10H2,1H3,(H2,20,22,23,24)
InChIKeyPMNJLMNHDCPDRG-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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Related Compounds

1-[3-(quinoxalin-2-ylsulfanyl)propyl]-1,3-dihydro-2H-benzimidazol-2-one
CID 663298
3-{2-[(3-Methylquinoxalin-2-yl)sulfanyl]acetyl}-1-phenylurea
CID 35502062
1-(3-Methyl-1-piperidinyl)-2-(2-quinoxalinylthio)ethanone
CID 4134237
4-(2-Pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one
CID 8813148
N-[(4-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 35503002
N-(4-Acetamidophenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991455
N-cyclopentyl-2-(quinoxalin-2-ylsulfanyl)acetamide
CID 2359872
N-[(2-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 127043474
N-[(2-chlorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 127044788
1-(4-Methylsulfanylphenyl)-3-(1,5-naphthyridin-4-yl)urea
CID 9819634
2-(3-methylquinoxalin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 35502144
N-(benzylcarbamoyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 36470059

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-3-ylcarbamoyl)acetamide?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-3-ylcarbamoyl)acetamide (CID 118418579) is 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-3-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-3-ylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-3-ylcarbamoyl)acetamide is Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1cccnc1.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-3-ylcarbamoyl)acetamide?
The InChIKey is PMNJLMNHDCPDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-11-16(21-14-7-3-2-6-13(14)19-11)25-10-15(23)22-17(24)20-12-5-4-8-18-9-12/h2-9H,10H2,1H3,(H2,20,22,23,24).
What are the key properties of 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-3-ylcarbamoyl)acetamide?
2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-3-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-3-ylcarbamoyl)acetamide is sourced from PubChem (CID 118418579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).