2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]acetamide

C22H24N6O4S — CID 139503443

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]acetamide
SMILESCC(C)Oc1cncc(-c2ccc(NC(=O)Cc3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C22H24N6O4S/c1-14(2)32-21-13-23-12-19(27-21)15-3-5-16(6-4-15)25-20(29)11-17-9-10-24-22(26-17)28-33(30,31)18-7-8-18/h3-6,9-10,12-14,18H,7-8,11H2,1-2H3,(H,25,29)(H,24,26,28)
InChIKeyAFTYHTVGZPXWTC-UHFFFAOYSA-N
MW468.54 g/mol
LogP2.81
Rot. Bonds9

About 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]acetamide

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]acetamide (PubChem CID 139503443) has the molecular formula C22H24N6O4S and a molecular weight of 468.54 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]acetamide
PubChem CID139503443
Molecular FormulaC22H24N6O4S
Molecular Weight468.54 g/mol
Exact Mass468.16
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]acetamide
SMILESCC(C)Oc1cncc(-c2ccc(NC(=O)Cc3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C22H24N6O4S/c1-14(2)32-21-13-23-12-19(27-21)15-3-5-16(6-4-15)25-20(29)11-17-9-10-24-22(26-17)28-33(30,31)18-7-8-18/h3-6,9-10,12-14,18H,7-8,11H2,1-2H3,(H,25,29)(H,24,26,28)
InChIKeyAFTYHTVGZPXWTC-UHFFFAOYSA-N
XLogP2.81
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]acetamide with MolForge

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Related Compounds

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(5-ethoxy-3-pyridinyl)phenyl]-2-methylpropanamide
CID 139503373
N-[2-chloro-4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
CID 139503374
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide
CID 139503377
1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 139503387
1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopropane-1-carboxamide
CID 139503388
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503392
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide
CID 139503393
N-[5-(6-cyclopropyloxypyrazin-2-yl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
CID 139503398
2-[2-(cyclobutylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503406
2-[2-(tert-butylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503412
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide
CID 139503413
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide
CID 139503414

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]acetamide (CID 139503443) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]acetamide is CC(C)Oc1cncc(-c2ccc(NC(=O)Cc3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]acetamide?
The InChIKey is AFTYHTVGZPXWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4S/c1-14(2)32-21-13-23-12-19(27-21)15-3-5-16(6-4-15)25-20(29)11-17-9-10-24-22(26-17)28-33(30,31)18-7-8-18/h3-6,9-10,12-14,18H,7-8,11H2,1-2H3,(H,25,29)(H,24,26,28).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]acetamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]acetamide has a molecular weight of 468.54 g/mol, XLogP of 2.81, 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-propan-2-yloxypyrazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 139503443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).