2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide

C24H23N3O2S2 — CID 46325103

IUPAC2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1ccc(Cn2c(=O)c(SCC(=O)NCCc3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C24H23N3O2S2/c1-17-8-10-18(11-9-17)15-27-21-7-3-2-6-20(21)26-23(24(27)29)31-16-22(28)25-13-12-19-5-4-14-30-19/h2-11,14H,12-13,15-16H2,1H3,(H,25,28)
InChIKeyDCBVOAIYNDXXPO-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.27
Rot. Bonds8

About 2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide

2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 46325103) has the molecular formula C24H23N3O2S2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID46325103
Molecular FormulaC24H23N3O2S2
Molecular Weight449.60 g/mol
Exact Mass449.12
IUPAC Name2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1ccc(Cn2c(=O)c(SCC(=O)NCCc3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C24H23N3O2S2/c1-17-8-10-18(11-9-17)15-27-21-7-3-2-6-20(21)26-23(24(27)29)31-16-22(28)25-13-12-19-5-4-14-30-19/h2-11,14H,12-13,15-16H2,1H3,(H,25,28)
InChIKeyDCBVOAIYNDXXPO-UHFFFAOYSA-N
XLogP4.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide
CID 46325057
N-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide
CID 46325052
N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide
CID 46325099
2-(2-methylquinazolin-4-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 7627761
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 28574230
2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92869847
2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 50761173
N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 46324939
N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 4754944
N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 8949580
N-[(4-chlorophenyl)methyl]-2-[4-oxo-3-(2-thiophen-2-ylethyl)quinazolin-2-yl]sulfanylacetamide
CID 46925689
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 31365115

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide (CID 46325103) is 2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide is Cc1ccc(Cn2c(=O)c(SCC(=O)NCCc3cccs3)nc3ccccc32)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is DCBVOAIYNDXXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S2/c1-17-8-10-18(11-9-17)15-27-21-7-3-2-6-20(21)26-23(24(27)29)31-16-22(28)25-13-12-19-5-4-14-30-19/h2-11,14H,12-13,15-16H2,1H3,(H,25,28).
What are the key properties of 2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 449.60 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 46325103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).