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

C32H34FN5O4S — CID 11642909

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

5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-cyano-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide (PubChem CID 11642909) has the molecular formula C32H34FN5O4S and a molecular weight of 603.72 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-cyano-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-cyano-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide
• PubChem CID: 11642909
• Molecular Formula: C32H34FN5O4S
• Molecular Weight: 603.72 g/mol
• Exact Mass: 603.23
• IUPAC Name: 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-cyano-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide
• SMILES: CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NCCN4CCOCC4)c(-c4ccc(F)c(C#N)c4)c3c2)cc1
• InChI: InChI=1S/C32H34FN5O4S/c1-32(2,3)23-5-8-25(9-6-23)43(40,41)37-24-7-11-28-26(19-24)29(21-4-10-27(33)22(18-21)20-34)30(36-28)31(39)35-12-13-38-14-16-42-17-15-38/h4-11,18-19,36-37H,12-17H2,1-3H3,(H,35,39)
• InChIKey: AMHHOCYSQLYYPY-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 127.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.72
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-cyano-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide (CID 11642909) is 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-cyano-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide.

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

The canonical SMILES for 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-cyano-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NCCN4CCOCC4)c(-c4ccc(F)c(C#N)c4)c3c2)cc1.

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

The InChIKey is AMHHOCYSQLYYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN5O4S/c1-32(2,3)23-5-8-25(9-6-23)43(40,41)37-24-7-11-28-26(19-24)29(21-4-10-27(33)22(18-21)20-34)30(36-28)31(39)35-12-13-38-14-16-42-17-15-38/h4-11,18-19,36-37H,12-17H2,1-3H3,(H,35,39).

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

5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-cyano-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide has a molecular weight of 603.72 g/mol, XLogP of 5.01, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-cyano-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 11642909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).