2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide

C13H15N3O3S — CID 60734018

IUPAC2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide
SMILESNC(=O)CSCCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C13H15N3O3S/c14-11(17)8-20-6-5-13(19)16-7-12(18)15-9-3-1-2-4-10(9)16/h1-4H,5-8H2,(H2,14,17)(H,15,18)
InChIKeyAYIUFQXWNKNQSH-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.58
Rot. Bonds5

About 2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide

2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide (PubChem CID 60734018) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide
PubChem CID60734018
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide
SMILESNC(=O)CSCCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C13H15N3O3S/c14-11(17)8-20-6-5-13(19)16-7-12(18)15-9-3-1-2-4-10(9)16/h1-4H,5-8H2,(H2,14,17)(H,15,18)
InChIKeyAYIUFQXWNKNQSH-UHFFFAOYSA-N
XLogP0.58
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one
CID 28822275
4-(4-phenylsulfanylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 16863999
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
CID 163261629
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione;hydrochloride
CID 119633446
4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577
4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 51280680
4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
CID 26860756
N-[2-(methylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 119502929
4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9390348
2-[2-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 154868758
4-[4-(4-methoxyphenyl)sulfanylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 16864002

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide?
The IUPAC name of 2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide (CID 60734018) is 2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide.
What is the SMILES notation for 2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide?
The canonical SMILES for 2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide is NC(=O)CSCCC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide?
The InChIKey is AYIUFQXWNKNQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c14-11(17)8-20-6-5-13(19)16-7-12(18)15-9-3-1-2-4-10(9)16/h1-4H,5-8H2,(H2,14,17)(H,15,18).
What are the key properties of 2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide?
2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide has a molecular weight of 293.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide is sourced from PubChem (CID 60734018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).