2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]butanamide

C22H24N6O4S — CID 139503471

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cncc(OC)n2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C22H24N6O4S/c1-3-17(18-10-11-24-22(27-18)28-33(30,31)16-8-9-16)21(29)25-15-6-4-14(5-7-15)19-12-23-13-20(26-19)32-2/h4-7,10-13,16-17H,3,8-9H2,1-2H3,(H,25,29)(H,24,27,28)
InChIKeyAGSJEBFGMIHEEX-UHFFFAOYSA-N
MW468.54 g/mol
LogP2.98
Rot. Bonds9

About 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]butanamide

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]butanamide (PubChem CID 139503471) 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-methoxypyrazin-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]butanamide
PubChem CID139503471
Molecular FormulaC22H24N6O4S
Molecular Weight468.54 g/mol
Exact Mass468.16
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cncc(OC)n2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C22H24N6O4S/c1-3-17(18-10-11-24-22(27-18)28-33(30,31)16-8-9-16)21(29)25-15-6-4-14(5-7-15)19-12-23-13-20(26-19)32-2/h4-7,10-13,16-17H,3,8-9H2,1-2H3,(H,25,29)(H,24,27,28)
InChIKeyAGSJEBFGMIHEEX-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]butanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]butanamide (CID 139503471) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]butanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]butanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]butanamide is CCC(C(=O)Nc1ccc(-c2cncc(OC)n2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]butanamide?
The InChIKey is AGSJEBFGMIHEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4S/c1-3-17(18-10-11-24-22(27-18)28-33(30,31)16-8-9-16)21(29)25-15-6-4-14(5-7-15)19-12-23-13-20(26-19)32-2/h4-7,10-13,16-17H,3,8-9H2,1-2H3,(H,25,29)(H,24,27,28).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]butanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]butanamide has a molecular weight of 468.54 g/mol, XLogP of 2.98, 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-methoxypyrazin-2-yl)phenyl]butanamide is sourced from PubChem (CID 139503471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).