2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide

C24H28N4O2S — CID 92651656

IUPAC2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C24H28N4O2S/c1-16-8-10-19(11-9-16)12-25-22(29)15-31-24-23(28-13-17(2)30-18(3)14-28)26-20-6-4-5-7-21(20)27-24/h4-11,17-18H,12-15H2,1-3H3,(H,25,29)/t17-,18+
InChIKeyZYABVDCPOKVHEF-HDICACEKSA-N
MW436.58 g/mol
LogP3.96
Rot. Bonds6

About 2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide

2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 92651656) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID92651656
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C24H28N4O2S/c1-16-8-10-19(11-9-16)12-25-22(29)15-31-24-23(28-13-17(2)30-18(3)14-28)26-20-6-4-5-7-21(20)27-24/h4-11,17-18H,12-15H2,1-3H3,(H,25,29)/t17-,18+
InChIKeyZYABVDCPOKVHEF-HDICACEKSA-N
XLogP3.96
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide with MolForge

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide
CID 6621004
2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 22332582
N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide
CID 92651661
N-[(4-fluorophenyl)methyl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
CID 22332549
2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 92505337
2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 92505335
2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone
CID 22332579
1-(4-cyclohexylpiperazin-1-yl)-2-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylethanone
CID 92651646
(2S)-N-benzyl-2-cyano-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetamide
CID 7381848
N-benzyl-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide
CID 864546
2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92893166
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
CID 167974129

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide (CID 92651656) is 2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of 2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is ZYABVDCPOKVHEF-HDICACEKSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-16-8-10-19(11-9-16)12-25-22(29)15-31-24-23(28-13-17(2)30-18(3)14-28)26-20-6-4-5-7-21(20)27-24/h4-11,17-18H,12-15H2,1-3H3,(H,25,29)/t17-,18+.
What are the key properties of 2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide?
2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 436.58 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 92651656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).