N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C19H19N3O2S — CID 26883298

IUPACN-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCSc1ccc(CN(C)C(=O)Cn2c(=O)cnc3ccccc32)cc1
InChIInChI=1S/C19H19N3O2S/c1-21(12-14-7-9-15(25-2)10-8-14)19(24)13-22-17-6-4-3-5-16(17)20-11-18(22)23/h3-11H,12-13H2,1-2H3
InChIKeyYUZCDKJATIRRIY-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.78
Rot. Bonds5

About N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 26883298) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID26883298
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCSc1ccc(CN(C)C(=O)Cn2c(=O)cnc3ccccc32)cc1
InChIInChI=1S/C19H19N3O2S/c1-21(12-14-7-9-15(25-2)10-8-14)19(24)13-22-17-6-4-3-5-16(17)20-11-18(22)23/h3-11H,12-13H2,1-2H3
InChIKeyYUZCDKJATIRRIY-UHFFFAOYSA-N
XLogP2.78
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide
CID 26419188
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 31977722
2-(4-aminopyrazol-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 61116908
1-(methylsulfanylmethyl)quinoxalin-2-one
CID 56689697
N,N-dimethyl-4-[[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]methyl]benzamide
CID 134039211
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 27332914
2-(2-oxoquinoxalin-1-yl)-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 31839493
N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide
CID 55959883
N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996582
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 9321843
2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide
CID 31362779
N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide
CID 146125808

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 26883298) is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide is CSc1ccc(CN(C)C(=O)Cn2c(=O)cnc3ccccc32)cc1.
What is the InChIKey of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is YUZCDKJATIRRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-21(12-14-7-9-15(25-2)10-8-14)19(24)13-22-17-6-4-3-5-16(17)20-11-18(22)23/h3-11H,12-13H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 353.45 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 26883298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).