5-[(4-tert-butylphenyl)sulfonylamino]-N-ethyl-3-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C26H28N4O3S — CID 25215285

About 5-[(4-tert-butylphenyl)sulfonylamino]-N-ethyl-3-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

5-[(4-tert-butylphenyl)sulfonylamino]-N-ethyl-3-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 25215285) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)sulfonylamino]-N-ethyl-3-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-tert-butylphenyl)sulfonylamino]-N-ethyl-3-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• PubChem CID: 25215285
• Molecular Formula: C26H28N4O3S
• Molecular Weight: 476.60 g/mol
• Exact Mass: 476.19
• IUPAC Name: 5-[(4-tert-butylphenyl)sulfonylamino]-N-ethyl-3-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• SMILES: CCNC(=O)c1[nH]c2ncc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1-c1ccccc1
• InChI: InChI=1S/C26H28N4O3S/c1-5-27-25(31)23-22(17-9-7-6-8-10-17)21-15-19(16-28-24(21)29-23)30-34(32,33)20-13-11-18(12-14-20)26(2,3)4/h6-16,30H,5H2,1-4H3,(H,27,31)(H,28,29)
• InChIKey: KTOMADGJGMJMPM-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 103.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.60
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-N-ethyl-3-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-N-ethyl-3-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 25215285) is 5-[(4-tert-butylphenyl)sulfonylamino]-N-ethyl-3-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 5-[(4-tert-butylphenyl)sulfonylamino]-N-ethyl-3-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 5-[(4-tert-butylphenyl)sulfonylamino]-N-ethyl-3-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CCNC(=O)c1[nH]c2ncc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1-c1ccccc1.

What is the InChIKey of 5-[(4-tert-butylphenyl)sulfonylamino]-N-ethyl-3-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The InChIKey is KTOMADGJGMJMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-5-27-25(31)23-22(17-9-7-6-8-10-17)21-15-19(16-28-24(21)29-23)30-34(32,33)20-13-11-18(12-14-20)26(2,3)4/h6-16,30H,5H2,1-4H3,(H,27,31)(H,28,29).

What are the key properties of 5-[(4-tert-butylphenyl)sulfonylamino]-N-ethyl-3-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

5-[(4-tert-butylphenyl)sulfonylamino]-N-ethyl-3-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 5.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-tert-butylphenyl)sulfonylamino]-N-ethyl-3-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 25215285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).