2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(1,2,3,4-tetrahydroquinolin-4-yl)acetamide

C22H24N4O4S — CID 57398980

IUPAC2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(1,2,3,4-tetrahydroquinolin-4-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)NC2CCNc3ccccc32)cc1
InChIInChI=1S/C22H24N4O4S/c1-15-6-8-16(9-7-15)31(29,30)26-13-12-24-22(28)20(26)14-21(27)25-19-10-11-23-18-5-3-2-4-17(18)19/h2-9,12-13,19-20,23H,10-11,14H2,1H3,(H,24,28)(H,25,27)/t19?,20-/m1/s1
InChIKeyVNTWPQGDVBJBNP-GFOWMXPYSA-N
MW440.53 g/mol
LogP2.02
Rot. Bonds5

About 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(1,2,3,4-tetrahydroquinolin-4-yl)acetamide

2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(1,2,3,4-tetrahydroquinolin-4-yl)acetamide (PubChem CID 57398980) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(1,2,3,4-tetrahydroquinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(1,2,3,4-tetrahydroquinolin-4-yl)acetamide
PubChem CID57398980
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(1,2,3,4-tetrahydroquinolin-4-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)NC2CCNc3ccccc32)cc1
InChIInChI=1S/C22H24N4O4S/c1-15-6-8-16(9-7-15)31(29,30)26-13-12-24-22(28)20(26)14-21(27)25-19-10-11-23-18-5-3-2-4-17(18)19/h2-9,12-13,19-20,23H,10-11,14H2,1H3,(H,24,28)(H,25,27)/t19?,20-/m1/s1
InChIKeyVNTWPQGDVBJBNP-GFOWMXPYSA-N
XLogP2.02
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(1,2,3,4-tetrahydroquinolin-4-yl)acetamide?
The IUPAC name of 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(1,2,3,4-tetrahydroquinolin-4-yl)acetamide (CID 57398980) is 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(1,2,3,4-tetrahydroquinolin-4-yl)acetamide.
What is the SMILES notation for 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(1,2,3,4-tetrahydroquinolin-4-yl)acetamide?
The canonical SMILES for 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(1,2,3,4-tetrahydroquinolin-4-yl)acetamide is Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)NC2CCNc3ccccc32)cc1.
What is the InChIKey of 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(1,2,3,4-tetrahydroquinolin-4-yl)acetamide?
The InChIKey is VNTWPQGDVBJBNP-GFOWMXPYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-15-6-8-16(9-7-15)31(29,30)26-13-12-24-22(28)20(26)14-21(27)25-19-10-11-23-18-5-3-2-4-17(18)19/h2-9,12-13,19-20,23H,10-11,14H2,1H3,(H,24,28)(H,25,27)/t19?,20-/m1/s1.
What are the key properties of 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(1,2,3,4-tetrahydroquinolin-4-yl)acetamide?
2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(1,2,3,4-tetrahydroquinolin-4-yl)acetamide has a molecular weight of 440.53 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(1,2,3,4-tetrahydroquinolin-4-yl)acetamide is sourced from PubChem (CID 57398980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).