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

C23H23N3O5S — CID 57395702

IUPAC2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCC(=O)c3ccccc32)cc1
InChIInChI=1S/C23H23N3O5S/c1-15-6-8-16(9-7-15)32(30,31)26-13-12-24-23(29)20(26)14-22(28)25-19-10-11-21(27)18-5-3-2-4-17(18)19/h2-9,12-13,19-20H,10-11,14H2,1H3,(H,24,29)(H,25,28)/t19-,20-/m1/s1
InChIKeyHBLSCJXUQPCIIG-WOJBJXKFSA-N
MW453.52 g/mol
LogP2.18
Rot. Bonds5

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

2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide (PubChem CID 57395702) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide
PubChem CID57395702
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCC(=O)c3ccccc32)cc1
InChIInChI=1S/C23H23N3O5S/c1-15-6-8-16(9-7-15)32(30,31)26-13-12-24-23(29)20(26)14-22(28)25-19-10-11-21(27)18-5-3-2-4-17(18)19/h2-9,12-13,19-20H,10-11,14H2,1H3,(H,24,29)(H,25,28)/t19-,20-/m1/s1
InChIKeyHBLSCJXUQPCIIG-WOJBJXKFSA-N
XLogP2.18
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.18
H-Bond Donors ≤ 52
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-[(1R)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide?
The IUPAC name of 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide (CID 57395702) is 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide is Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCC(=O)c3ccccc32)cc1.
What is the InChIKey of 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide?
The InChIKey is HBLSCJXUQPCIIG-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-15-6-8-16(9-7-15)32(30,31)26-13-12-24-23(29)20(26)14-22(28)25-19-10-11-21(27)18-5-3-2-4-17(18)19/h2-9,12-13,19-20H,10-11,14H2,1H3,(H,24,29)(H,25,28)/t19-,20-/m1/s1.
What are the key properties of 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide?
2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide has a molecular weight of 453.52 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 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-[(1R)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide is sourced from PubChem (CID 57395702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).