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

C25H24N4O4S — CID 68680120

IUPAC2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C25H24N4O4S/c1-18-2-8-22(9-3-18)34(32,33)29-15-14-27-25(31)23(29)17-24(30)28-21-6-4-19(5-7-21)16-20-10-12-26-13-11-20/h2-15,23H,16-17H2,1H3,(H,27,31)(H,28,30)/t23-/m1/s1
InChIKeyCIOJMVAXCUNKID-HSZRJFAPSA-N
MW476.56 g/mol
LogP2.97
Rot. Bonds7

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

2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide (PubChem CID 68680120) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
PubChem CID68680120
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C25H24N4O4S/c1-18-2-8-22(9-3-18)34(32,33)29-15-14-27-25(31)23(29)17-24(30)28-21-6-4-19(5-7-21)16-20-10-12-26-13-11-20/h2-15,23H,16-17H2,1H3,(H,27,31)(H,28,30)/t23-/m1/s1
InChIKeyCIOJMVAXCUNKID-HSZRJFAPSA-N
XLogP2.97
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide (CID 68680120) is 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide is Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1.
What is the InChIKey of 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
The InChIKey is CIOJMVAXCUNKID-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-18-2-8-22(9-3-18)34(32,33)29-15-14-27-25(31)23(29)17-24(30)28-21-6-4-19(5-7-21)16-20-10-12-26-13-11-20/h2-15,23H,16-17H2,1H3,(H,27,31)(H,28,30)/t23-/m1/s1.
What are the key properties of 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide has a molecular weight of 476.56 g/mol, XLogP of 2.97, 7 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-[4-(pyridin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 68680120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).