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

C24H26N6O4S2 — CID 136604954

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

4-(diethylsulfamoyl)-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide (PubChem CID 136604954) has the molecular formula C24H26N6O4S2 and a molecular weight of 526.64 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 4-(diethylsulfamoyl)-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
• PubChem CID: 136604954
• Molecular Formula: C24H26N6O4S2
• Molecular Weight: 526.64 g/mol
• Exact Mass: 526.15
• IUPAC Name: 4-(diethylsulfamoyl)-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
• SMILES: CCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)n1
• InChI: InChI=1S/C24H26N6O4S2/c1-4-17-14-22(31)27-24(25-17)30-21(15-19(28-30)20-8-7-13-35-20)26-23(32)16-9-11-18(12-10-16)36(33,34)29(5-2)6-3/h7-15H,4-6H2,1-3H3,(H,26,32)(H,25,27,31)
• InChIKey: LBQBMBZDGNXNTG-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 130.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.64
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-(diethylsulfamoyl)-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide (CID 136604954) is 4-(diethylsulfamoyl)-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide.

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

The canonical SMILES for 4-(diethylsulfamoyl)-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide is CCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)n1.

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

The InChIKey is LBQBMBZDGNXNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S2/c1-4-17-14-22(31)27-24(25-17)30-21(15-19(28-30)20-8-7-13-35-20)26-23(32)16-9-11-18(12-10-16)36(33,34)29(5-2)6-3/h7-15H,4-6H2,1-3H3,(H,26,32)(H,25,27,31).

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

4-(diethylsulfamoyl)-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide has a molecular weight of 526.64 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(diethylsulfamoyl)-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide is sourced from PubChem (CID 136604954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).