5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide

C32H38N4O3S — CID 58622320

About 5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide

5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide (PubChem CID 58622320) has the molecular formula C32H38N4O3S and a molecular weight of 558.75 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
• PubChem CID: 58622320
• Molecular Formula: C32H38N4O3S
• Molecular Weight: 558.75 g/mol
• Exact Mass: 558.27
• IUPAC Name: 5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
• SMILES: CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NCCN4CCCCC4)c(-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C32H38N4O3S/c1-32(2,3)24-12-15-26(16-13-24)40(38,39)35-25-14-17-28-27(22-25)29(23-10-6-4-7-11-23)30(34-28)31(37)33-18-21-36-19-8-5-9-20-36/h4,6-7,10-17,22,34-35H,5,8-9,18-21H2,1-3H3,(H,33,37)
• InChIKey: VCRAIMYRRVBPIF-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 94.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.75
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide?

The IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide (CID 58622320) is 5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide.

What is the SMILES notation for 5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide?

The canonical SMILES for 5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NCCN4CCCCC4)c(-c4ccccc4)c3c2)cc1.

What is the InChIKey of 5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide?

The InChIKey is VCRAIMYRRVBPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O3S/c1-32(2,3)24-12-15-26(16-13-24)40(38,39)35-25-14-17-28-27(22-25)29(23-10-6-4-7-11-23)30(34-28)31(37)33-18-21-36-19-8-5-9-20-36/h4,6-7,10-17,22,34-35H,5,8-9,18-21H2,1-3H3,(H,33,37).

What are the key properties of 5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide?

5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide has a molecular weight of 558.75 g/mol, XLogP of 6.15, 8 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]-3-phenyl-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 58622320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).