2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-phenylacetamide

C22H24N4O2S — CID 6621039

IUPAC2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-phenylacetamide
SMILESCC1CN(c2nc3ccccc3nc2SCC(=O)Nc2ccccc2)CC(C)O1
InChIInChI=1S/C22H24N4O2S/c1-15-12-26(13-16(2)28-15)21-22(25-19-11-7-6-10-18(19)24-21)29-14-20(27)23-17-8-4-3-5-9-17/h3-11,15-16H,12-14H2,1-2H3,(H,23,27)
InChIKeyLDTACDBKWNCJPQ-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.97
Rot. Bonds5

About 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-phenylacetamide

2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-phenylacetamide (PubChem CID 6621039) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-phenylacetamide
PubChem CID6621039
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-phenylacetamide
SMILESCC1CN(c2nc3ccccc3nc2SCC(=O)Nc2ccccc2)CC(C)O1
InChIInChI=1S/C22H24N4O2S/c1-15-12-26(13-16(2)28-15)21-22(25-19-11-7-6-10-18(19)24-21)29-14-20(27)23-17-8-4-3-5-9-17/h3-11,15-16H,12-14H2,1-2H3,(H,23,27)
InChIKeyLDTACDBKWNCJPQ-UHFFFAOYSA-N
XLogP3.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-phenylacetamide (CID 6621039) is 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-phenylacetamide is CC1CN(c2nc3ccccc3nc2SCC(=O)Nc2ccccc2)CC(C)O1.
What is the InChIKey of 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-phenylacetamide?
The InChIKey is LDTACDBKWNCJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-15-12-26(13-16(2)28-15)21-22(25-19-11-7-6-10-18(19)24-21)29-14-20(27)23-17-8-4-3-5-9-17/h3-11,15-16H,12-14H2,1-2H3,(H,23,27).
What are the key properties of 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-phenylacetamide?
2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-phenylacetamide has a molecular weight of 408.53 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 6621039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).