2-benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide

C30H36N2O5S — CID 123549419

About 2-benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide

2-benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide (PubChem CID 123549419) has the molecular formula C30H36N2O5S and a molecular weight of 536.69 g/mol. Its IUPAC name is 2-benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide.

Molecular Properties

• Compound Name: 2-benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide
• PubChem CID: 123549419
• Molecular Formula: C30H36N2O5S
• Molecular Weight: 536.69 g/mol
• Exact Mass: 536.23
• IUPAC Name: 2-benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide
• SMILES: CC(C)c1ccc(S(=O)(=O)NCC(O)CC(Cc2ccccc2)C(=O)NC2c3ccccc3CC2O)cc1
• InChI: InChI=1S/C30H36N2O5S/c1-20(2)22-12-14-26(15-13-22)38(36,37)31-19-25(33)17-24(16-21-8-4-3-5-9-21)30(35)32-29-27-11-7-6-10-23(27)18-28(29)34/h3-15,20,24-25,28-29,31,33-34H,16-19H2,1-2H3,(H,32,35)
• InChIKey: YDNYPGVDVMVJBS-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 115.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.69
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide?

The IUPAC name of 2-benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide (CID 123549419) is 2-benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide.

What is the SMILES notation for 2-benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide?

The canonical SMILES for 2-benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide is CC(C)c1ccc(S(=O)(=O)NCC(O)CC(Cc2ccccc2)C(=O)NC2c3ccccc3CC2O)cc1.

What is the InChIKey of 2-benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide?

The InChIKey is YDNYPGVDVMVJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O5S/c1-20(2)22-12-14-26(15-13-22)38(36,37)31-19-25(33)17-24(16-21-8-4-3-5-9-21)30(35)32-29-27-11-7-6-10-23(27)18-28(29)34/h3-15,20,24-25,28-29,31,33-34H,16-19H2,1-2H3,(H,32,35).

What are the key properties of 2-benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide?

2-benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide has a molecular weight of 536.69 g/mol, XLogP of 3.47, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 123549419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).