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

C24H28N4O3S — CID 92505337

IUPAC2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C24H28N4O3S/c1-4-30-19-11-9-18(10-12-19)25-22(29)15-32-24-23(28-13-16(2)31-17(3)14-28)26-20-7-5-6-8-21(20)27-24/h5-12,16-17H,4,13-15H2,1-3H3,(H,25,29)/t16-,17+
InChIKeyAJZFMGQYVOSHPJ-CALCHBBNSA-N
MW452.58 g/mol
LogP4.37
Rot. Bonds7

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

2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide (PubChem CID 92505337) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
PubChem CID92505337
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C24H28N4O3S/c1-4-30-19-11-9-18(10-12-19)25-22(29)15-32-24-23(28-13-16(2)31-17(3)14-28)26-20-7-5-6-8-21(20)27-24/h5-12,16-17H,4,13-15H2,1-3H3,(H,25,29)/t16-,17+
InChIKeyAJZFMGQYVOSHPJ-CALCHBBNSA-N
XLogP4.37
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 92505335
N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide
CID 92651661
N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide
CID 92651660
2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 22332582
2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 92651656
N-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide
CID 6621004
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 742340
N-(4-propan-2-ylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
CID 22332533
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(4-ethoxyphenoxy)phenyl]acetamide
CID 8899247
4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8900210
N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4789081
N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 3361602

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide (CID 92505337) is 2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of 2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The InChIKey is AJZFMGQYVOSHPJ-CALCHBBNSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-4-30-19-11-9-18(10-12-19)25-22(29)15-32-24-23(28-13-16(2)31-17(3)14-28)26-20-7-5-6-8-21(20)27-24/h5-12,16-17H,4,13-15H2,1-3H3,(H,25,29)/t16-,17+.
What are the key properties of 2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 92505337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).