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

C24H28N6O4S — CID 139503442

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cncc(OC(C)C)n2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C24H28N6O4S/c1-4-19(20-11-12-26-24(29-20)30-35(32,33)18-9-10-18)23(31)27-17-7-5-16(6-8-17)21-13-25-14-22(28-21)34-15(2)3/h5-8,11-15,18-19H,4,9-10H2,1-3H3,(H,27,31)(H,26,29,30)
InChIKeyYXKYNIDPIWCVOW-UHFFFAOYSA-N
MW496.59 g/mol
LogP3.76
Rot. Bonds10

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

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]butanamide (PubChem CID 139503442) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]butanamide
PubChem CID139503442
Molecular FormulaC24H28N6O4S
Molecular Weight496.59 g/mol
Exact Mass496.19
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cncc(OC(C)C)n2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C24H28N6O4S/c1-4-19(20-11-12-26-24(29-20)30-35(32,33)18-9-10-18)23(31)27-17-7-5-16(6-8-17)21-13-25-14-22(28-21)34-15(2)3/h5-8,11-15,18-19H,4,9-10H2,1-3H3,(H,27,31)(H,26,29,30)
InChIKeyYXKYNIDPIWCVOW-UHFFFAOYSA-N
XLogP3.76
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.76
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-propan-2-yloxypyrazin-2-yl)phenyl]butanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]butanamide (CID 139503442) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]butanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]butanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]butanamide is CCC(C(=O)Nc1ccc(-c2cncc(OC(C)C)n2)cc1)c1ccnc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]butanamide?
The InChIKey is YXKYNIDPIWCVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S/c1-4-19(20-11-12-26-24(29-20)30-35(32,33)18-9-10-18)23(31)27-17-7-5-16(6-8-17)21-13-25-14-22(28-21)34-15(2)3/h5-8,11-15,18-19H,4,9-10H2,1-3H3,(H,27,31)(H,26,29,30).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]butanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]butanamide has a molecular weight of 496.59 g/mol, XLogP of 3.76, 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-propan-2-yloxypyrazin-2-yl)phenyl]butanamide is sourced from PubChem (CID 139503442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).