2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide

C27H31FN4O4S — CID 133149693

About 2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide

2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 133149693) has the molecular formula C27H31FN4O4S and a molecular weight of 526.63 g/mol. Its IUPAC name is 2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide
• PubChem CID: 133149693
• Molecular Formula: C27H31FN4O4S
• Molecular Weight: 526.63 g/mol
• Exact Mass: 526.21
• IUPAC Name: 2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide
• SMILES: CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)C(C)C(=O)NCc2ccccn2)cc1
• InChI: InChI=1S/C27H31FN4O4S/c1-3-31-37(35,36)25-14-9-21(10-15-25)11-16-26(33)32(19-22-7-12-23(28)13-8-22)20(2)27(34)30-18-24-6-4-5-17-29-24/h4-10,12-15,17,20,31H,3,11,16,18-19H2,1-2H3,(H,30,34)
• InChIKey: QEIXYHRNCNAIAF-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 108.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.63
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide?

The IUPAC name of 2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide (CID 133149693) is 2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide.

What is the SMILES notation for 2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide?

The canonical SMILES for 2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide is CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)C(C)C(=O)NCc2ccccn2)cc1.

What is the InChIKey of 2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide?

The InChIKey is QEIXYHRNCNAIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O4S/c1-3-31-37(35,36)25-14-9-21(10-15-25)11-16-26(33)32(19-22-7-12-23(28)13-8-22)20(2)27(34)30-18-24-6-4-5-17-29-24/h4-10,12-15,17,20,31H,3,11,16,18-19H2,1-2H3,(H,30,34).

What are the key properties of 2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide?

2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 526.63 g/mol, XLogP of 3.19, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 133149693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).