N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide

C26H27Cl2N3O4S — CID 133237535

About N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide

N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide (PubChem CID 133237535) has the molecular formula C26H27Cl2N3O4S and a molecular weight of 548.49 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
• PubChem CID: 133237535
• Molecular Formula: C26H27Cl2N3O4S
• Molecular Weight: 548.49 g/mol
• Exact Mass: 547.11
• IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
• SMILES: CN(CC(=O)N(Cc1ccc(Cl)cc1)C(C(=O)NCc1ccc(Cl)cc1)c1ccccc1)S(C)(=O)=O
• InChI: InChI=1S/C26H27Cl2N3O4S/c1-30(36(2,34)35)18-24(32)31(17-20-10-14-23(28)15-11-20)25(21-6-4-3-5-7-21)26(33)29-16-19-8-12-22(27)13-9-19/h3-15,25H,16-18H2,1-2H3,(H,29,33)
• InChIKey: GKEBCHDQTIFHFO-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.49
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide?

The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide (CID 133237535) is N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide is CN(CC(=O)N(Cc1ccc(Cl)cc1)C(C(=O)NCc1ccc(Cl)cc1)c1ccccc1)S(C)(=O)=O.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide?

The InChIKey is GKEBCHDQTIFHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2N3O4S/c1-30(36(2,34)35)18-24(32)31(17-20-10-14-23(28)15-11-20)25(21-6-4-3-5-7-21)26(33)29-16-19-8-12-22(27)13-9-19/h3-15,25H,16-18H2,1-2H3,(H,29,33).

What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide?

N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide has a molecular weight of 548.49 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide is sourced from PubChem (CID 133237535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).