2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyrazin-2-ylphenyl)propanamide

C21H22N6O3S — CID 139503472

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyrazin-2-ylphenyl)propanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cnccn2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C21H22N6O3S/c1-21(2,18-9-10-24-20(26-18)27-31(29,30)16-7-8-16)19(28)25-15-5-3-14(4-6-15)17-13-22-11-12-23-17/h3-6,9-13,16H,7-8H2,1-2H3,(H,25,28)(H,24,26,27)
InChIKeyAXARJXXUJNIBHN-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.75
Rot. Bonds7

About 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyrazin-2-ylphenyl)propanamide

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyrazin-2-ylphenyl)propanamide (PubChem CID 139503472) has the molecular formula C21H22N6O3S and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyrazin-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyrazin-2-ylphenyl)propanamide
PubChem CID139503472
Molecular FormulaC21H22N6O3S
Molecular Weight438.51 g/mol
Exact Mass438.15
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyrazin-2-ylphenyl)propanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cnccn2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C21H22N6O3S/c1-21(2,18-9-10-24-20(26-18)27-31(29,30)16-7-8-16)19(28)25-15-5-3-14(4-6-15)17-13-22-11-12-23-17/h3-6,9-13,16H,7-8H2,1-2H3,(H,25,28)(H,24,26,27)
InChIKeyAXARJXXUJNIBHN-UHFFFAOYSA-N
XLogP2.75
TPSA126.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyrazin-2-ylphenyl)propanamide 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]-2-methyl-N-(4-pyrazin-2-ylphenyl)propanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyrazin-2-ylphenyl)propanamide (CID 139503472) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyrazin-2-ylphenyl)propanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyrazin-2-ylphenyl)propanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyrazin-2-ylphenyl)propanamide is CC(C)(C(=O)Nc1ccc(-c2cnccn2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyrazin-2-ylphenyl)propanamide?
The InChIKey is AXARJXXUJNIBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3S/c1-21(2,18-9-10-24-20(26-18)27-31(29,30)16-7-8-16)19(28)25-15-5-3-14(4-6-15)17-13-22-11-12-23-17/h3-6,9-13,16H,7-8H2,1-2H3,(H,25,28)(H,24,26,27).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyrazin-2-ylphenyl)propanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyrazin-2-ylphenyl)propanamide has a molecular weight of 438.51 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyrazin-2-ylphenyl)propanamide is sourced from PubChem (CID 139503472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).