2-[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C26H41N3O3S — CID 4011408

About 2-[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 4011408) has the molecular formula C26H41N3O3S and a molecular weight of 475.70 g/mol. Its IUPAC name is 2-[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• PubChem CID: 4011408
• Molecular Formula: C26H41N3O3S
• Molecular Weight: 475.70 g/mol
• Exact Mass: 475.29
• IUPAC Name: 2-[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• SMILES: CCC(C)N(CC(=O)N(Cc1cccn1C)CC(C)C)S(=O)(=O)c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C26H41N3O3S/c1-9-21(4)29(33(31,32)24-14-12-22(13-15-24)26(5,6)7)19-25(30)28(17-20(2)3)18-23-11-10-16-27(23)8/h10-16,20-21H,9,17-19H2,1-8H3
• InChIKey: FBCXHJZAOGBXQB-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 62.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.70
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The IUPAC name of 2-[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 4011408) is 2-[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCC(C)N(CC(=O)N(Cc1cccn1C)CC(C)C)S(=O)(=O)c1ccc(C(C)(C)C)cc1.

What is the InChIKey of 2-[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The InChIKey is FBCXHJZAOGBXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O3S/c1-9-21(4)29(33(31,32)24-14-12-22(13-15-24)26(5,6)7)19-25(30)28(17-20(2)3)18-23-11-10-16-27(23)8/h10-16,20-21H,9,17-19H2,1-8H3.

What are the key properties of 2-[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

2-[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 475.70 g/mol, XLogP of 4.80, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 4011408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).