2-(3-methylquinoxalin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

C21H22N4O2S — CID 39992569

IUPAC2-(3-methylquinoxalin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1nc2ccccc2nc1SCC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H22N4O2S/c1-15-21(24-17-7-3-2-6-16(17)22-15)28-14-20(26)23-18-8-4-5-9-19(18)25-10-12-27-13-11-25/h2-9H,10-14H2,1H3,(H,23,26)
InChIKeyLXOOZPSPVOQRLQ-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.51
Rot. Bonds5

About 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

2-(3-methylquinoxalin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 39992569) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID39992569
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name2-(3-methylquinoxalin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1nc2ccccc2nc1SCC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H22N4O2S/c1-15-21(24-17-7-3-2-6-16(17)22-15)28-14-20(26)23-18-8-4-5-9-19(18)25-10-12-27-13-11-25/h2-9H,10-14H2,1H3,(H,23,26)
InChIKeyLXOOZPSPVOQRLQ-UHFFFAOYSA-N
XLogP3.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (CID 39992569) is 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is Cc1nc2ccccc2nc1SCC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is LXOOZPSPVOQRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-15-21(24-17-7-3-2-6-16(17)22-15)28-14-20(26)23-18-8-4-5-9-19(18)25-10-12-27-13-11-25/h2-9H,10-14H2,1H3,(H,23,26).
What are the key properties of 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
2-(3-methylquinoxalin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 394.50 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinoxalin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 39992569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).