2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(5-ethoxy-3-pyridinyl)phenyl]-2-methylpropanamide

C24H27N5O4S — CID 139503373

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(5-ethoxy-3-pyridinyl)phenyl]-2-methylpropanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)c1
InChIInChI=1S/C24H27N5O4S/c1-4-33-19-13-17(14-25-15-19)16-5-7-18(8-6-16)27-22(30)24(2,3)21-11-12-26-23(28-21)29-34(31,32)20-9-10-20/h5-8,11-15,20H,4,9-10H2,1-3H3,(H,27,30)(H,26,28,29)
InChIKeyWZRHLVOBAQDKIU-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.76
Rot. Bonds9

About 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(5-ethoxy-3-pyridinyl)phenyl]-2-methylpropanamide

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(5-ethoxy-3-pyridinyl)phenyl]-2-methylpropanamide (PubChem CID 139503373) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(5-ethoxy-3-pyridinyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(5-ethoxy-3-pyridinyl)phenyl]-2-methylpropanamide
PubChem CID139503373
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(5-ethoxy-3-pyridinyl)phenyl]-2-methylpropanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)c1
InChIInChI=1S/C24H27N5O4S/c1-4-33-19-13-17(14-25-15-19)16-5-7-18(8-6-16)27-22(30)24(2,3)21-11-12-26-23(28-21)29-34(31,32)20-9-10-20/h5-8,11-15,20H,4,9-10H2,1-3H3,(H,27,30)(H,26,28,29)
InChIKeyWZRHLVOBAQDKIU-UHFFFAOYSA-N
XLogP3.76
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.76
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]-N-[4-(5-ethoxy-3-pyridinyl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(5-ethoxy-3-pyridinyl)phenyl]-2-methylpropanamide (CID 139503373) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(5-ethoxy-3-pyridinyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(5-ethoxy-3-pyridinyl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(5-ethoxy-3-pyridinyl)phenyl]-2-methylpropanamide is CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)c1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(5-ethoxy-3-pyridinyl)phenyl]-2-methylpropanamide?
The InChIKey is WZRHLVOBAQDKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-4-33-19-13-17(14-25-15-19)16-5-7-18(8-6-16)27-22(30)24(2,3)21-11-12-26-23(28-21)29-34(31,32)20-9-10-20/h5-8,11-15,20H,4,9-10H2,1-3H3,(H,27,30)(H,26,28,29).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(5-ethoxy-3-pyridinyl)phenyl]-2-methylpropanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(5-ethoxy-3-pyridinyl)phenyl]-2-methylpropanamide has a molecular weight of 481.58 g/mol, XLogP of 3.76, 9 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]-N-[4-(5-ethoxy-3-pyridinyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 139503373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).