2-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]butanamide

C28H43N3O5S — CID 70153229

About 2-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]butanamide

2-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]butanamide (PubChem CID 70153229) has the molecular formula C28H43N3O5S and a molecular weight of 533.74 g/mol. Its IUPAC name is 2-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]butanamide.

Molecular Properties

• Compound Name: 2-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]butanamide
• PubChem CID: 70153229
• Molecular Formula: C28H43N3O5S
• Molecular Weight: 533.74 g/mol
• Exact Mass: 533.29
• IUPAC Name: 2-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]butanamide
• SMILES: CCCN(CCC)S(=O)(=O)C(CC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
• InChI: InChI=1S/C28H43N3O5S/c1-5-16-31(17-6-2)37(34,35)27(7-3)28(33)30-25(19-22-12-9-8-10-13-22)26(32)21-29-20-23-14-11-15-24(18-23)36-4/h8-15,18,25-27,29,32H,5-7,16-17,19-21H2,1-4H3,(H,30,33)/t25-,26+,27?/m0/s1
• InChIKey: XYXVWGOQSBFIGE-AJRFNQODSA-N
• XLogP: 3.10
• TPSA: 107.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.74
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]butanamide?

The IUPAC name of 2-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]butanamide (CID 70153229) is 2-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]butanamide.

What is the SMILES notation for 2-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]butanamide?

The canonical SMILES for 2-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]butanamide is CCCN(CCC)S(=O)(=O)C(CC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1.

What is the InChIKey of 2-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]butanamide?

The InChIKey is XYXVWGOQSBFIGE-AJRFNQODSA-N. The full InChI is InChI=1S/C28H43N3O5S/c1-5-16-31(17-6-2)37(34,35)27(7-3)28(33)30-25(19-22-12-9-8-10-13-22)26(32)21-29-20-23-14-11-15-24(18-23)36-4/h8-15,18,25-27,29,32H,5-7,16-17,19-21H2,1-4H3,(H,30,33)/t25-,26+,27?/m0/s1.

What are the key properties of 2-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]butanamide?

2-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]butanamide has a molecular weight of 533.74 g/mol, XLogP of 3.10, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dipropylsulfamoyl)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]butanamide is sourced from PubChem (CID 70153229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).