[5-[(4-tert-butylphenyl)sulfonylamino]-3-(furan-2-yl)-1H-indol-2-yl] N-(2-morpholin-4-ylethyl)carbamate

C29H34N4O6S — CID 68851434

About [5-[(4-tert-butylphenyl)sulfonylamino]-3-(furan-2-yl)-1H-indol-2-yl] N-(2-morpholin-4-ylethyl)carbamate

[5-[(4-tert-butylphenyl)sulfonylamino]-3-(furan-2-yl)-1H-indol-2-yl] N-(2-morpholin-4-ylethyl)carbamate (PubChem CID 68851434) has the molecular formula C29H34N4O6S and a molecular weight of 566.68 g/mol. Its IUPAC name is [5-[(4-tert-butylphenyl)sulfonylamino]-3-(furan-2-yl)-1H-indol-2-yl] N-(2-morpholin-4-ylethyl)carbamate.

Molecular Properties

• Compound Name: [5-[(4-tert-butylphenyl)sulfonylamino]-3-(furan-2-yl)-1H-indol-2-yl] N-(2-morpholin-4-ylethyl)carbamate
• PubChem CID: 68851434
• Molecular Formula: C29H34N4O6S
• Molecular Weight: 566.68 g/mol
• Exact Mass: 566.22
• IUPAC Name: [5-[(4-tert-butylphenyl)sulfonylamino]-3-(furan-2-yl)-1H-indol-2-yl] N-(2-morpholin-4-ylethyl)carbamate
• SMILES: CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)NCCN4CCOCC4)c(-c4ccco4)c3c2)cc1
• InChI: InChI=1S/C29H34N4O6S/c1-29(2,3)20-6-9-22(10-7-20)40(35,36)32-21-8-11-24-23(19-21)26(25-5-4-16-38-25)27(31-24)39-28(34)30-12-13-33-14-17-37-18-15-33/h4-11,16,19,31-32H,12-15,17-18H2,1-3H3,(H,30,34)
• InChIKey: MRHAKLLLAPWRAX-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 125.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.68
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-[(4-tert-butylphenyl)sulfonylamino]-3-(furan-2-yl)-1H-indol-2-yl] N-(2-morpholin-4-ylethyl)carbamate?

The IUPAC name of [5-[(4-tert-butylphenyl)sulfonylamino]-3-(furan-2-yl)-1H-indol-2-yl] N-(2-morpholin-4-ylethyl)carbamate (CID 68851434) is [5-[(4-tert-butylphenyl)sulfonylamino]-3-(furan-2-yl)-1H-indol-2-yl] N-(2-morpholin-4-ylethyl)carbamate.

What is the SMILES notation for [5-[(4-tert-butylphenyl)sulfonylamino]-3-(furan-2-yl)-1H-indol-2-yl] N-(2-morpholin-4-ylethyl)carbamate?

The canonical SMILES for [5-[(4-tert-butylphenyl)sulfonylamino]-3-(furan-2-yl)-1H-indol-2-yl] N-(2-morpholin-4-ylethyl)carbamate is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)NCCN4CCOCC4)c(-c4ccco4)c3c2)cc1.

What is the InChIKey of [5-[(4-tert-butylphenyl)sulfonylamino]-3-(furan-2-yl)-1H-indol-2-yl] N-(2-morpholin-4-ylethyl)carbamate?

The InChIKey is MRHAKLLLAPWRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O6S/c1-29(2,3)20-6-9-22(10-7-20)40(35,36)32-21-8-11-24-23(19-21)26(25-5-4-16-38-25)27(31-24)39-28(34)30-12-13-33-14-17-37-18-15-33/h4-11,16,19,31-32H,12-15,17-18H2,1-3H3,(H,30,34).

What are the key properties of [5-[(4-tert-butylphenyl)sulfonylamino]-3-(furan-2-yl)-1H-indol-2-yl] N-(2-morpholin-4-ylethyl)carbamate?

[5-[(4-tert-butylphenyl)sulfonylamino]-3-(furan-2-yl)-1H-indol-2-yl] N-(2-morpholin-4-ylethyl)carbamate has a molecular weight of 566.68 g/mol, XLogP of 4.95, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(4-tert-butylphenyl)sulfonylamino]-3-(furan-2-yl)-1H-indol-2-yl] N-(2-morpholin-4-ylethyl)carbamate is sourced from PubChem (CID 68851434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).