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

C23H26N6O4S — CID 139503474

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C23H26N6O4S/c1-3-18(19-11-12-25-23(28-19)29-34(31,32)17-9-10-17)22(30)26-16-7-5-15(6-8-16)20-13-24-14-21(27-20)33-4-2/h5-8,11-14,17-18H,3-4,9-10H2,1-2H3,(H,26,30)(H,25,28,29)
InChIKeyIPFXGQQKDXMVOJ-UHFFFAOYSA-N
MW482.57 g/mol
LogP3.37
Rot. Bonds10

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

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide (PubChem CID 139503474) has the molecular formula C23H26N6O4S and a molecular weight of 482.57 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide
PubChem CID139503474
Molecular FormulaC23H26N6O4S
Molecular Weight482.57 g/mol
Exact Mass482.17
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C23H26N6O4S/c1-3-18(19-11-12-25-23(28-19)29-34(31,32)17-9-10-17)22(30)26-16-7-5-15(6-8-16)20-13-24-14-21(27-20)33-4-2/h5-8,11-14,17-18H,3-4,9-10H2,1-2H3,(H,26,30)(H,25,28,29)
InChIKeyIPFXGQQKDXMVOJ-UHFFFAOYSA-N
XLogP3.37
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 53.37
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-ethoxypyrazin-2-yl)phenyl]butanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide (CID 139503474) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide is CCOc1cncc(-c2ccc(NC(=O)C(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide?
The InChIKey is IPFXGQQKDXMVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4S/c1-3-18(19-11-12-25-23(28-19)29-34(31,32)17-9-10-17)22(30)26-16-7-5-15(6-8-16)20-13-24-14-21(27-20)33-4-2/h5-8,11-14,17-18H,3-4,9-10H2,1-2H3,(H,26,30)(H,25,28,29).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide has a molecular weight of 482.57 g/mol, XLogP of 3.37, 10 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)phenyl]butanamide is sourced from PubChem (CID 139503474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).