3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide

C24H28N4O4S — CID 136818206

About 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide

3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide (PubChem CID 136818206) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide
• PubChem CID: 136818206
• Molecular Formula: C24H28N4O4S
• Molecular Weight: 468.58 g/mol
• Exact Mass: 468.18
• IUPAC Name: 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide
• SMILES: Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CCc3ccc(S(=O)(=O)NC(C)(C)C)cc3)c2)n1
• InChI: InChI=1S/C24H28N4O4S/c1-16-14-22(30)27-23(25-16)18-6-5-7-19(15-18)26-21(29)13-10-17-8-11-20(12-9-17)33(31,32)28-24(2,3)4/h5-9,11-12,14-15,28H,10,13H2,1-4H3,(H,26,29)(H,25,27,30)
• InChIKey: JOZJBNNBVYGEOQ-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 121.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.58
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide?

The IUPAC name of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide (CID 136818206) is 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide.

What is the SMILES notation for 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide?

The canonical SMILES for 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide is Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CCc3ccc(S(=O)(=O)NC(C)(C)C)cc3)c2)n1.

What is the InChIKey of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide?

The InChIKey is JOZJBNNBVYGEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-16-14-22(30)27-23(25-16)18-6-5-7-19(15-18)26-21(29)13-10-17-8-11-20(12-9-17)33(31,32)28-24(2,3)4/h5-9,11-12,14-15,28H,10,13H2,1-4H3,(H,26,29)(H,25,27,30).

What are the key properties of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide?

3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide has a molecular weight of 468.58 g/mol, XLogP of 3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide is sourced from PubChem (CID 136818206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).