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

C26H22Cl2N4O4S — CID 136818268

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

2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide (PubChem CID 136818268) has the molecular formula C26H22Cl2N4O4S and a molecular weight of 557.46 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
• PubChem CID: 136818268
• Molecular Formula: C26H22Cl2N4O4S
• Molecular Weight: 557.46 g/mol
• Exact Mass: 556.07
• IUPAC Name: 2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
• SMILES: Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)c2)n1
• InChI: InChI=1S/C26H22Cl2N4O4S/c1-17-13-24(33)31-26(29-17)19-3-2-4-22(14-19)30-25(34)16-32(15-18-5-7-20(27)8-6-18)37(35,36)23-11-9-21(28)10-12-23/h2-14H,15-16H2,1H3,(H,30,34)(H,29,31,33)
• InChIKey: CEPQQAZFIIUSMQ-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 112.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.46
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide (CID 136818268) is 2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide.

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

The canonical SMILES for 2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide is Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)c2)n1.

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

The InChIKey is CEPQQAZFIIUSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N4O4S/c1-17-13-24(33)31-26(29-17)19-3-2-4-22(14-19)30-25(34)16-32(15-18-5-7-20(27)8-6-18)37(35,36)23-11-9-21(28)10-12-23/h2-14H,15-16H2,1H3,(H,30,34)(H,29,31,33).

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

2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide has a molecular weight of 557.46 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide is sourced from PubChem (CID 136818268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).