2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide

C24H21N3OS — CID 46357628

IUPAC2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide
SMILESCc1ccc(Cc2nc3ccccc3nc2SCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H21N3OS/c1-17-11-13-18(14-12-17)15-22-24(27-21-10-6-5-9-20(21)26-22)29-16-23(28)25-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeyFTEGQSKDLQDOCX-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.26
Rot. Bonds6

About 2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide

2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide (PubChem CID 46357628) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide
PubChem CID46357628
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC Name2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide
SMILESCc1ccc(Cc2nc3ccccc3nc2SCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H21N3OS/c1-17-11-13-18(14-12-17)15-22-24(27-21-10-6-5-9-20(21)26-22)29-16-23(28)25-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeyFTEGQSKDLQDOCX-UHFFFAOYSA-N
XLogP5.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 46357700
N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 46357614
N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 46357608
2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 46357715
2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 46357656
2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide
CID 118418598
methyl 2-[[2-(3-benzylquinoxalin-2-yl)sulfanylacetyl]amino]benzoate
CID 46357662
2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92893166
2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 46357720
N-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 46357625
N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 3361602
N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 6618537

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide (CID 46357628) is 2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide is Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide?
The InChIKey is FTEGQSKDLQDOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c1-17-11-13-18(14-12-17)15-22-24(27-21-10-6-5-9-20(21)26-22)29-16-23(28)25-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,25,28).
What are the key properties of 2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide?
2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide has a molecular weight of 399.52 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 46357628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).