N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide

C22H26N6O4S — CID 139503550

IUPACN-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)CC)n3)cc2)n1
InChIInChI=1S/C22H26N6O4S/c1-5-32-19-14-23-13-17(26-19)15-7-9-16(10-8-15)25-20(29)22(3,4)18-11-12-24-21(27-18)28-33(30,31)6-2/h7-14H,5-6H2,1-4H3,(H,25,29)(H,24,27,28)
InChIKeyUHSDCVHUGSHTIE-UHFFFAOYSA-N
MW470.56 g/mol
LogP3.01
Rot. Bonds9

About N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide

N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide (PubChem CID 139503550) has the molecular formula C22H26N6O4S and a molecular weight of 470.56 g/mol. Its IUPAC name is N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
PubChem CID139503550
Molecular FormulaC22H26N6O4S
Molecular Weight470.56 g/mol
Exact Mass470.17
IUPAC NameN-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)CC)n3)cc2)n1
InChIInChI=1S/C22H26N6O4S/c1-5-32-19-14-23-13-17(26-19)15-7-9-16(10-8-15)25-20(29)22(3,4)18-11-12-24-21(27-18)28-33(30,31)6-2/h7-14H,5-6H2,1-4H3,(H,25,29)(H,24,27,28)
InChIKeyUHSDCVHUGSHTIE-UHFFFAOYSA-N
XLogP3.01
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide (CID 139503550) is N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide is CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)CC)n3)cc2)n1.
What is the InChIKey of N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide?
The InChIKey is UHSDCVHUGSHTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4S/c1-5-32-19-14-23-13-17(26-19)15-7-9-16(10-8-15)25-20(29)22(3,4)18-11-12-24-21(27-18)28-33(30,31)6-2/h7-14H,5-6H2,1-4H3,(H,25,29)(H,24,27,28).
What are the key properties of N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide?
N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide has a molecular weight of 470.56 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 139503550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).