2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-ylpyrazin-2-yl)phenyl]propanamide

C24H28N6O3S — CID 139509947

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-ylpyrazin-2-yl)phenyl]propanamide
SMILESCC(C)c1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C24H28N6O3S/c1-15(2)19-13-25-14-20(28-19)16-5-7-17(8-6-16)27-22(31)24(3,4)21-11-12-26-23(29-21)30-34(32,33)18-9-10-18/h5-8,11-15,18H,9-10H2,1-4H3,(H,27,31)(H,26,29,30)
InChIKeyKVJPOKGPXXZQHZ-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.88
Rot. Bonds8

About 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-ylpyrazin-2-yl)phenyl]propanamide

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-ylpyrazin-2-yl)phenyl]propanamide (PubChem CID 139509947) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-ylpyrazin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-ylpyrazin-2-yl)phenyl]propanamide
PubChem CID139509947
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-ylpyrazin-2-yl)phenyl]propanamide
SMILESCC(C)c1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C24H28N6O3S/c1-15(2)19-13-25-14-20(28-19)16-5-7-17(8-6-16)27-22(31)24(3,4)21-11-12-26-23(29-21)30-34(32,33)18-9-10-18/h5-8,11-15,18H,9-10H2,1-4H3,(H,27,31)(H,26,29,30)
InChIKeyKVJPOKGPXXZQHZ-UHFFFAOYSA-N
XLogP3.88
TPSA126.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide
CID 139503495
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503546
N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
CID 139503550
6-[4-[[2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoyl]amino]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 138673878
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methoxyacetamide
CID 139509948
2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 138673682
2-[2-(cyclobutylsulfanylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139515540
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]butanamide
CID 139503545
N-[4-[1-[4-(6-ethoxypyrazin-2-yl)anilino]propyl]pyrimidin-2-yl]cyclopropanesulfonamide
CID 176884822
N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-propan-2-yloxypyrazin-2-yl)benzamide
CID 139509920
N-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-fluorobutanamide
CID 139510191
2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-(2-fluoro-4-pyrazin-2-ylphenyl)-2-methylpropanamide
CID 139509962

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-ylpyrazin-2-yl)phenyl]propanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-ylpyrazin-2-yl)phenyl]propanamide (CID 139509947) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-ylpyrazin-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-ylpyrazin-2-yl)phenyl]propanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-ylpyrazin-2-yl)phenyl]propanamide is CC(C)c1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-ylpyrazin-2-yl)phenyl]propanamide?
The InChIKey is KVJPOKGPXXZQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-15(2)19-13-25-14-20(28-19)16-5-7-17(8-6-16)27-22(31)24(3,4)21-11-12-26-23(29-21)30-34(32,33)18-9-10-18/h5-8,11-15,18H,9-10H2,1-4H3,(H,27,31)(H,26,29,30).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-ylpyrazin-2-yl)phenyl]propanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-ylpyrazin-2-yl)phenyl]propanamide has a molecular weight of 480.59 g/mol, XLogP of 3.88, 8 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-(6-propan-2-ylpyrazin-2-yl)phenyl]propanamide is sourced from PubChem (CID 139509947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).