2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide

C25H30N6O4S — CID 139503414

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)c(C)c2C)n1
InChIInChI=1S/C25H30N6O4S/c1-6-35-22-14-26-13-20(28-22)18-9-10-19(16(3)15(18)2)29-23(32)25(4,5)21-11-12-27-24(30-21)31-36(33,34)17-7-8-17/h9-14,17H,6-8H2,1-5H3,(H,29,32)(H,27,30,31)
InChIKeyLUBOFMKKHZVBCQ-UHFFFAOYSA-N
MW510.62 g/mol
LogP3.77
Rot. Bonds9

About 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide (PubChem CID 139503414) has the molecular formula C25H30N6O4S and a molecular weight of 510.62 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide
PubChem CID139503414
Molecular FormulaC25H30N6O4S
Molecular Weight510.62 g/mol
Exact Mass510.20
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)c(C)c2C)n1
InChIInChI=1S/C25H30N6O4S/c1-6-35-22-14-26-13-20(28-22)18-9-10-19(16(3)15(18)2)29-23(32)25(4,5)21-11-12-27-24(30-21)31-36(33,34)17-7-8-17/h9-14,17H,6-8H2,1-5H3,(H,29,32)(H,27,30,31)
InChIKeyLUBOFMKKHZVBCQ-UHFFFAOYSA-N
XLogP3.77
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.62
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide 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-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide (CID 139503414) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide is CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)c(C)c2C)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide?
The InChIKey is LUBOFMKKHZVBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4S/c1-6-35-22-14-26-13-20(28-22)18-9-10-19(16(3)15(18)2)29-23(32)25(4,5)21-11-12-27-24(30-21)31-36(33,34)17-7-8-17/h9-14,17H,6-8H2,1-5H3,(H,29,32)(H,27,30,31).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide has a molecular weight of 510.62 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide is sourced from PubChem (CID 139503414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).