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

C31H36N4O5S — CID 11628429

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

5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide (PubChem CID 11628429) has the molecular formula C31H36N4O5S and a molecular weight of 576.72 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide
• PubChem CID: 11628429
• Molecular Formula: C31H36N4O5S
• Molecular Weight: 576.72 g/mol
• Exact Mass: 576.24
• IUPAC Name: 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide
• SMILES: CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NCCN4CCOCC4)c(-c4cccc(O)c4)c3c2)cc1
• InChI: InChI=1S/C31H36N4O5S/c1-31(2,3)22-7-10-25(11-8-22)41(38,39)34-23-9-12-27-26(20-23)28(21-5-4-6-24(36)19-21)29(33-27)30(37)32-13-14-35-15-17-40-18-16-35/h4-12,19-20,33-34,36H,13-18H2,1-3H3,(H,32,37)
• InChIKey: LGPSBBQGCYAICB-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 123.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.72
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide (CID 11628429) is 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide.

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

The canonical SMILES for 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NCCN4CCOCC4)c(-c4cccc(O)c4)c3c2)cc1.

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

The InChIKey is LGPSBBQGCYAICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O5S/c1-31(2,3)22-7-10-25(11-8-22)41(38,39)34-23-9-12-27-26(20-23)28(21-5-4-6-24(36)19-21)29(33-27)30(37)32-13-14-35-15-17-40-18-16-35/h4-12,19-20,33-34,36H,13-18H2,1-3H3,(H,32,37).

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

5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide has a molecular weight of 576.72 g/mol, XLogP of 4.70, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 11628429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).