2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-prop-1-en-2-ylpyrazin-2-yl)phenyl]propanamide

C24H26N6O3S — CID 139510085

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-prop-1-en-2-ylpyrazin-2-yl)phenyl]propanamide
SMILESC=C(C)c1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C24H26N6O3S/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/h5-8,11-14,18H,1,9-10H2,2-4H3,(H,27,31)(H,26,29,30)
InChIKeyIYEWEAROINEPMA-UHFFFAOYSA-N
MW478.58 g/mol
LogP3.79
Rot. Bonds8

About 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-prop-1-en-2-ylpyrazin-2-yl)phenyl]propanamide

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-prop-1-en-2-ylpyrazin-2-yl)phenyl]propanamide (PubChem CID 139510085) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-prop-1-en-2-ylpyrazin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-prop-1-en-2-ylpyrazin-2-yl)phenyl]propanamide
PubChem CID139510085
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-prop-1-en-2-ylpyrazin-2-yl)phenyl]propanamide
SMILESC=C(C)c1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C24H26N6O3S/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/h5-8,11-14,18H,1,9-10H2,2-4H3,(H,27,31)(H,26,29,30)
InChIKeyIYEWEAROINEPMA-UHFFFAOYSA-N
XLogP3.79
TPSA126.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-prop-1-en-2-ylpyrazin-2-yl)phenyl]propanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-prop-1-en-2-ylpyrazin-2-yl)phenyl]propanamide (CID 139510085) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-prop-1-en-2-ylpyrazin-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-prop-1-en-2-ylpyrazin-2-yl)phenyl]propanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-prop-1-en-2-ylpyrazin-2-yl)phenyl]propanamide is C=C(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-prop-1-en-2-ylpyrazin-2-yl)phenyl]propanamide?
The InChIKey is IYEWEAROINEPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/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/h5-8,11-14,18H,1,9-10H2,2-4H3,(H,27,31)(H,26,29,30).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-prop-1-en-2-ylpyrazin-2-yl)phenyl]propanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-prop-1-en-2-ylpyrazin-2-yl)phenyl]propanamide has a molecular weight of 478.58 g/mol, XLogP of 3.79, 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-prop-1-en-2-ylpyrazin-2-yl)phenyl]propanamide is sourced from PubChem (CID 139510085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).