N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide

C₂₄H₂₄N₆O₄S — CID 163246961

About N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide

N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide (PubChem CID 163246961) has the molecular formula C₂₄H₂₄N₆O₄S and a molecular weight of 492.56 g/mol. Its IUPAC name is N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide.

Molecular Properties

• Compound Name: N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide
• PubChem CID: 163246961
• Molecular Formula: C₂₄H₂₄N₆O₄S
• Molecular Weight: 492.56 g/mol
• Exact Mass: 492.16
• IUPAC Name: N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide
• SMILES: CNC(=O)c1cccc(Oc2nc(NS(=O)(=O)c3cnn(C)c3)nc(-c3ccccc3C)c2C)c1
• InChI: InChI=1S/C24H24N6O4S/c1-15-8-5-6-11-20(15)21-16(2)23(34-18-10-7-9-17(12-18)22(31)25-3)28-24(27-21)29-35(32,33)19-13-26-30(4)14-19/h5-14H,1-4H3,(H,25,31)(H,27,28,29)
• InChIKey: RNGIVDOPOBDKKF-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 128.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.56
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide?

The IUPAC name of N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide (CID 163246961) is N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide.

What is the SMILES notation for N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide?

The canonical SMILES for N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide is CNC(=O)c1cccc(Oc2nc(NS(=O)(=O)c3cnn(C)c3)nc(-c3ccccc3C)c2C)c1.

What is the InChIKey of N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide?

The InChIKey is RNGIVDOPOBDKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4S/c1-15-8-5-6-11-20(15)21-16(2)23(34-18-10-7-9-17(12-18)22(31)25-3)28-24(27-21)29-35(32,33)19-13-26-30(4)14-19/h5-14H,1-4H3,(H,25,31)(H,27,28,29).

What are the key properties of N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide?

N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide has a molecular weight of 492.56 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 163246961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163246961 — identifiers, structure, computed properties (public domain)

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