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

C18H25N5O4S — CID 68939798

IUPAC2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(4-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C18H25N5O4S/c1-14-3-5-15(6-4-14)28(26,27)23-8-7-19-18(25)16(23)13-17(24)20-22-11-9-21(2)10-12-22/h3-8,16H,9-13H2,1-2H3,(H,19,25)(H,20,24)/t16-/m1/s1
InChIKeyKORKIYRIRZIRKO-MRXNPFEDSA-N
MW407.50 g/mol
LogP-0.38
Rot. Bonds5

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

2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(4-methylpiperazin-1-yl)acetamide (PubChem CID 68939798) has the molecular formula C18H25N5O4S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(4-methylpiperazin-1-yl)acetamide
PubChem CID68939798
Molecular FormulaC18H25N5O4S
Molecular Weight407.50 g/mol
Exact Mass407.16
IUPAC Name2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(4-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C18H25N5O4S/c1-14-3-5-15(6-4-14)28(26,27)23-8-7-19-18(25)16(23)13-17(24)20-22-11-9-21(2)10-12-22/h3-8,16H,9-13H2,1-2H3,(H,19,25)(H,20,24)/t16-/m1/s1
InChIKeyKORKIYRIRZIRKO-MRXNPFEDSA-N
XLogP-0.38
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(4-methylpiperazin-1-yl)acetamide (CID 68939798) is 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(4-methylpiperazin-1-yl)acetamide is Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)NN2CCN(C)CC2)cc1.
What is the InChIKey of 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is KORKIYRIRZIRKO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N5O4S/c1-14-3-5-15(6-4-14)28(26,27)23-8-7-19-18(25)16(23)13-17(24)20-22-11-9-21(2)10-12-22/h3-8,16H,9-13H2,1-2H3,(H,19,25)(H,20,24)/t16-/m1/s1.
What are the key properties of 2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(4-methylpiperazin-1-yl)acetamide?
2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 407.50 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 68939798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).