2-[(4-chlorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-methyl-2-phenylacetamide

C30H27ClFN3O5S — CID 133237322

About 2-[(4-chlorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-methyl-2-phenylacetamide

2-[(4-chlorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 133237322) has the molecular formula C30H27ClFN3O5S and a molecular weight of 596.08 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-methyl-2-phenylacetamide
• PubChem CID: 133237322
• Molecular Formula: C30H27ClFN3O5S
• Molecular Weight: 596.08 g/mol
• Exact Mass: 595.13
• IUPAC Name: 2-[(4-chlorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-methyl-2-phenylacetamide
• SMILES: CNC(=O)C(c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
• InChI: InChI=1S/C30H27ClFN3O5S/c1-33-30(37)29(22-5-3-2-4-6-22)35(19-21-7-9-23(31)10-8-21)28(36)20-40-26-15-17-27(18-16-26)41(38,39)34-25-13-11-24(32)12-14-25/h2-18,29,34H,19-20H2,1H3,(H,33,37)
• InChIKey: UIXHBDSZMRRBOD-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.08
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(4-chlorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-methyl-2-phenylacetamide (CID 133237322) is 2-[(4-chlorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-methyl-2-phenylacetamide.

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

The canonical SMILES for 2-[(4-chlorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)C(c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.

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

The InChIKey is UIXHBDSZMRRBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClFN3O5S/c1-33-30(37)29(22-5-3-2-4-6-22)35(19-21-7-9-23(31)10-8-21)28(36)20-40-26-15-17-27(18-16-26)41(38,39)34-25-13-11-24(32)12-14-25/h2-18,29,34H,19-20H2,1H3,(H,33,37).

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

2-[(4-chlorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 596.08 g/mol, XLogP of 5.17, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 133237322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).