2-[1-benzyl-4-[2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-2-(2-methylpropyl)indol-3-yl]-2-oxoacetamide

C30H31N3O6S — CID 24951033

About 2-[1-benzyl-4-[2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-2-(2-methylpropyl)indol-3-yl]-2-oxoacetamide

2-[1-benzyl-4-[2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-2-(2-methylpropyl)indol-3-yl]-2-oxoacetamide (PubChem CID 24951033) has the molecular formula C30H31N3O6S and a molecular weight of 561.66 g/mol. Its IUPAC name is 2-[1-benzyl-4-[2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-2-(2-methylpropyl)indol-3-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[1-benzyl-4-[2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-2-(2-methylpropyl)indol-3-yl]-2-oxoacetamide
• PubChem CID: 24951033
• Molecular Formula: C30H31N3O6S
• Molecular Weight: 561.66 g/mol
• Exact Mass: 561.19
• IUPAC Name: 2-[1-benzyl-4-[2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-2-(2-methylpropyl)indol-3-yl]-2-oxoacetamide
• SMILES: Cc1ccccc1S(=O)(=O)NC(=O)COc1cccc2c1c(C(=O)C(N)=O)c(CC(C)C)n2Cc1ccccc1
• InChI: InChI=1S/C30H31N3O6S/c1-19(2)16-23-28(29(35)30(31)36)27-22(33(23)17-21-11-5-4-6-12-21)13-9-14-24(27)39-18-26(34)32-40(37,38)25-15-8-7-10-20(25)3/h4-15,19H,16-18H2,1-3H3,(H2,31,36)(H,32,34)
• InChIKey: ALJJMKCAOSCZMO-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 137.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.66
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-4-[2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-2-(2-methylpropyl)indol-3-yl]-2-oxoacetamide?

The IUPAC name of 2-[1-benzyl-4-[2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-2-(2-methylpropyl)indol-3-yl]-2-oxoacetamide (CID 24951033) is 2-[1-benzyl-4-[2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-2-(2-methylpropyl)indol-3-yl]-2-oxoacetamide.

What is the SMILES notation for 2-[1-benzyl-4-[2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-2-(2-methylpropyl)indol-3-yl]-2-oxoacetamide?

The canonical SMILES for 2-[1-benzyl-4-[2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-2-(2-methylpropyl)indol-3-yl]-2-oxoacetamide is Cc1ccccc1S(=O)(=O)NC(=O)COc1cccc2c1c(C(=O)C(N)=O)c(CC(C)C)n2Cc1ccccc1.

What is the InChIKey of 2-[1-benzyl-4-[2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-2-(2-methylpropyl)indol-3-yl]-2-oxoacetamide?

The InChIKey is ALJJMKCAOSCZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O6S/c1-19(2)16-23-28(29(35)30(31)36)27-22(33(23)17-21-11-5-4-6-12-21)13-9-14-24(27)39-18-26(34)32-40(37,38)25-15-8-7-10-20(25)3/h4-15,19H,16-18H2,1-3H3,(H2,31,36)(H,32,34).

What are the key properties of 2-[1-benzyl-4-[2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-2-(2-methylpropyl)indol-3-yl]-2-oxoacetamide?

2-[1-benzyl-4-[2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-2-(2-methylpropyl)indol-3-yl]-2-oxoacetamide has a molecular weight of 561.66 g/mol, XLogP of 3.75, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-benzyl-4-[2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-2-(2-methylpropyl)indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 24951033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).