N-(2-morpholin-4-ylethyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide

C22H24N4O2S — CID 4092267

IUPACN-(2-morpholin-4-ylethyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2nc1-c1ccccc1)NCCN1CCOCC1
InChIInChI=1S/C22H24N4O2S/c27-20(23-10-11-26-12-14-28-15-13-26)16-29-22-21(17-6-2-1-3-7-17)24-18-8-4-5-9-19(18)25-22/h1-9H,10-16H2,(H,23,27)
InChIKeyWYNMZIUNZGANRV-UHFFFAOYSA-N
MW408.53 g/mol
LogP2.84
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide

N-(2-morpholin-4-ylethyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 4092267) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide
PubChem CID4092267
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2nc1-c1ccccc1)NCCN1CCOCC1
InChIInChI=1S/C22H24N4O2S/c27-20(23-10-11-26-12-14-28-15-13-26)16-29-22-21(17-6-2-1-3-7-17)24-18-8-4-5-9-19(18)25-22/h1-9H,10-16H2,(H,23,27)
InChIKeyWYNMZIUNZGANRV-UHFFFAOYSA-N
XLogP2.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide (CID 4092267) is N-(2-morpholin-4-ylethyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide is O=C(CSc1nc2ccccc2nc1-c1ccccc1)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is WYNMZIUNZGANRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c27-20(23-10-11-26-12-14-28-15-13-26)16-29-22-21(17-6-2-1-3-7-17)24-18-8-4-5-9-19(18)25-22/h1-9H,10-16H2,(H,23,27).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide?
N-(2-morpholin-4-ylethyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 408.53 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 4092267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).