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

C34H38N4O5S — CID 133236325

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

2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 133236325) has the molecular formula C34H38N4O5S and a molecular weight of 614.77 g/mol. Its IUPAC name is 2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
• PubChem CID: 133236325
• Molecular Formula: C34H38N4O5S
• Molecular Weight: 614.77 g/mol
• Exact Mass: 614.26
• IUPAC Name: 2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
• SMILES: CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)C(Cc2ccccc2)C(=O)NCc2cccnc2)cc1
• InChI: InChI=1S/C34H38N4O5S/c1-3-37-44(41,42)31-18-13-26(14-19-31)15-20-33(39)38(25-28-11-16-30(43-2)17-12-28)32(22-27-8-5-4-6-9-27)34(40)36-24-29-10-7-21-35-23-29/h4-14,16-19,21,23,32,37H,3,15,20,22,24-25H2,1-2H3,(H,36,40)
• InChIKey: QTCITPVOLBXSAE-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 117.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	614.77
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide (CID 133236325) is 2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide.

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

The canonical SMILES for 2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide is CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)C(Cc2ccccc2)C(=O)NCc2cccnc2)cc1.

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

The InChIKey is QTCITPVOLBXSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O5S/c1-3-37-44(41,42)31-18-13-26(14-19-31)15-20-33(39)38(25-28-11-16-30(43-2)17-12-28)32(22-27-8-5-4-6-9-27)34(40)36-24-29-10-7-21-35-23-29/h4-14,16-19,21,23,32,37H,3,15,20,22,24-25H2,1-2H3,(H,36,40).

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

2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 614.77 g/mol, XLogP of 4.28, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 133236325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).