N-ethyl-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide

C32H31F2N3O5S — CID 133214801

About N-ethyl-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide

N-ethyl-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide (PubChem CID 133214801) has the molecular formula C32H31F2N3O5S and a molecular weight of 607.68 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-ethyl-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide
• PubChem CID: 133214801
• Molecular Formula: C32H31F2N3O5S
• Molecular Weight: 607.68 g/mol
• Exact Mass: 607.20
• IUPAC Name: N-ethyl-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide
• SMILES: CCNC(=O)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
• InChI: InChI=1S/C32H31F2N3O5S/c1-2-35-32(39)30(20-23-6-4-3-5-7-23)37(21-24-8-10-25(33)11-9-24)31(38)22-42-28-16-18-29(19-17-28)43(40,41)36-27-14-12-26(34)13-15-27/h3-19,30,36H,2,20-22H2,1H3,(H,35,39)
• InChIKey: RXSFWSQUVPJOKK-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.68
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide?

The IUPAC name of N-ethyl-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide (CID 133214801) is N-ethyl-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide.

What is the SMILES notation for N-ethyl-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide?

The canonical SMILES for N-ethyl-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide is CCNC(=O)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.

What is the InChIKey of N-ethyl-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide?

The InChIKey is RXSFWSQUVPJOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F2N3O5S/c1-2-35-32(39)30(20-23-6-4-3-5-7-23)37(21-24-8-10-25(33)11-9-24)31(38)22-42-28-16-18-29(19-17-28)43(40,41)36-27-14-12-26(34)13-15-27/h3-19,30,36H,2,20-22H2,1H3,(H,35,39).

What are the key properties of N-ethyl-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide?

N-ethyl-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide has a molecular weight of 607.68 g/mol, XLogP of 4.92, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 133214801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).