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

C24H30N6O4S — CID 139503412

IUPAC2-[2-(tert-butylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C(C)(C)C)n3)cc2)n1
InChIInChI=1S/C24H30N6O4S/c1-7-34-20-15-25-14-18(28-20)16-8-10-17(11-9-16)27-21(31)24(5,6)19-12-13-26-22(29-19)30-35(32,33)23(2,3)4/h8-15H,7H2,1-6H3,(H,27,31)(H,26,29,30)
InChIKeyMXFPRABVZGYJOZ-UHFFFAOYSA-N
MW498.61 g/mol
LogP3.79
Rot. Bonds8

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

2-[2-(tert-butylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide (PubChem CID 139503412) has the molecular formula C24H30N6O4S and a molecular weight of 498.61 g/mol. Its IUPAC name is 2-[2-(tert-butylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[2-(tert-butylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
PubChem CID139503412
Molecular FormulaC24H30N6O4S
Molecular Weight498.61 g/mol
Exact Mass498.20
IUPAC Name2-[2-(tert-butylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C(C)(C)C)n3)cc2)n1
InChIInChI=1S/C24H30N6O4S/c1-7-34-20-15-25-14-18(28-20)16-8-10-17(11-9-16)27-21(31)24(5,6)19-12-13-26-22(29-19)30-35(32,33)23(2,3)4/h8-15H,7H2,1-6H3,(H,27,31)(H,26,29,30)
InChIKeyMXFPRABVZGYJOZ-UHFFFAOYSA-N
XLogP3.79
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-[2-(tert-butylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide (CID 139503412) is 2-[2-(tert-butylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[2-(tert-butylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-[2-(tert-butylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide is CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C(C)(C)C)n3)cc2)n1.
What is the InChIKey of 2-[2-(tert-butylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is MXFPRABVZGYJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4S/c1-7-34-20-15-25-14-18(28-20)16-8-10-17(11-9-16)27-21(31)24(5,6)19-12-13-26-22(29-19)30-35(32,33)23(2,3)4/h8-15H,7H2,1-6H3,(H,27,31)(H,26,29,30).
What are the key properties of 2-[2-(tert-butylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide?
2-[2-(tert-butylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 498.61 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 139503412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).