5-[(4-tert-butylphenyl)sulfonylamino]-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenyl-1H-indole-2-carboxamide

C33H33N3O4S — CID 68851219

About 5-[(4-tert-butylphenyl)sulfonylamino]-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenyl-1H-indole-2-carboxamide

5-[(4-tert-butylphenyl)sulfonylamino]-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenyl-1H-indole-2-carboxamide (PubChem CID 68851219) has the molecular formula C33H33N3O4S and a molecular weight of 567.71 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)sulfonylamino]-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-tert-butylphenyl)sulfonylamino]-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenyl-1H-indole-2-carboxamide
• PubChem CID: 68851219
• Molecular Formula: C33H33N3O4S
• Molecular Weight: 567.71 g/mol
• Exact Mass: 567.22
• IUPAC Name: 5-[(4-tert-butylphenyl)sulfonylamino]-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenyl-1H-indole-2-carboxamide
• SMILES: CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)N[C@@H](CO)c4ccccc4)c(-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C33H33N3O4S/c1-33(2,3)24-14-17-26(18-15-24)41(39,40)36-25-16-19-28-27(20-25)30(23-12-8-5-9-13-23)31(34-28)32(38)35-29(21-37)22-10-6-4-7-11-22/h4-20,29,34,36-37H,21H2,1-3H3,(H,35,38)/t29-/m0/s1
• InChIKey: NTWDZEIJEKRWMN-LJAQVGFWSA-N
• XLogP: 6.40
• TPSA: 111.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.71
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenyl-1H-indole-2-carboxamide (CID 68851219) is 5-[(4-tert-butylphenyl)sulfonylamino]-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenyl-1H-indole-2-carboxamide.

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

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

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

The InChIKey is NTWDZEIJEKRWMN-LJAQVGFWSA-N. The full InChI is InChI=1S/C33H33N3O4S/c1-33(2,3)24-14-17-26(18-15-24)41(39,40)36-25-16-19-28-27(20-25)30(23-12-8-5-9-13-23)31(34-28)32(38)35-29(21-37)22-10-6-4-7-11-22/h4-20,29,34,36-37H,21H2,1-3H3,(H,35,38)/t29-/m0/s1.

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

5-[(4-tert-butylphenyl)sulfonylamino]-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 567.71 g/mol, XLogP of 6.40, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-tert-butylphenyl)sulfonylamino]-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 68851219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).