4-(dimethylsulfamoyl)-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide

C23H24N6O4S2 — CID 136605777

About 4-(dimethylsulfamoyl)-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide

4-(dimethylsulfamoyl)-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide (PubChem CID 136605777) has the molecular formula C23H24N6O4S2 and a molecular weight of 512.62 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 4-(dimethylsulfamoyl)-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
• PubChem CID: 136605777
• Molecular Formula: C23H24N6O4S2
• Molecular Weight: 512.62 g/mol
• Exact Mass: 512.13
• IUPAC Name: 4-(dimethylsulfamoyl)-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
• SMILES: CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1
• InChI: InChI=1S/C23H24N6O4S2/c1-14(2)17-13-21(30)26-23(24-17)29-20(12-18(27-29)19-6-5-11-34-19)25-22(31)15-7-9-16(10-8-15)35(32,33)28(3)4/h5-14H,1-4H3,(H,25,31)(H,24,26,30)
• InChIKey: DSOPTBUCARZEBK-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 130.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.62
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide?

The IUPAC name of 4-(dimethylsulfamoyl)-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide (CID 136605777) is 4-(dimethylsulfamoyl)-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide.

What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide?

The canonical SMILES for 4-(dimethylsulfamoyl)-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide is CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1.

What is the InChIKey of 4-(dimethylsulfamoyl)-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide?

The InChIKey is DSOPTBUCARZEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4S2/c1-14(2)17-13-21(30)26-23(24-17)29-20(12-18(27-29)19-6-5-11-34-19)25-22(31)15-7-9-16(10-8-15)35(32,33)28(3)4/h5-14H,1-4H3,(H,25,31)(H,24,26,30).

What are the key properties of 4-(dimethylsulfamoyl)-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide?

4-(dimethylsulfamoyl)-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide has a molecular weight of 512.62 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylsulfamoyl)-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide is sourced from PubChem (CID 136605777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).