2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide

C25H21ClN4O5S — CID 136876910

About 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide

2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide (PubChem CID 136876910) has the molecular formula C25H21ClN4O5S and a molecular weight of 524.99 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
• PubChem CID: 136876910
• Molecular Formula: C25H21ClN4O5S
• Molecular Weight: 524.99 g/mol
• Exact Mass: 524.09
• IUPAC Name: 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
• SMILES: Cc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)c2)n1
• InChI: InChI=1S/C25H21ClN4O5S/c1-16-13-23(31)29-25(27-16)17-3-2-4-20(14-17)28-24(32)15-35-21-9-11-22(12-10-21)36(33,34)30-19-7-5-18(26)6-8-19/h2-14,30H,15H2,1H3,(H,28,32)(H,27,29,31)
• InChIKey: BLOPOKKWAFAEIJ-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 130.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.99
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide?

The IUPAC name of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide (CID 136876910) is 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide.

What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide?

The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide is Cc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)c2)n1.

What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide?

The InChIKey is BLOPOKKWAFAEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O5S/c1-16-13-23(31)29-25(27-16)17-3-2-4-20(14-17)28-24(32)15-35-21-9-11-22(12-10-21)36(33,34)30-19-7-5-18(26)6-8-19/h2-14,30H,15H2,1H3,(H,28,32)(H,27,29,31).

What are the key properties of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide?

2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide has a molecular weight of 524.99 g/mol, XLogP of 4.22, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide is sourced from PubChem (CID 136876910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).