N-(2-hydroxyethyl)-3-[[3-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide

C26H34N4O5S — CID 74058369

About N-(2-hydroxyethyl)-3-[[3-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide

N-(2-hydroxyethyl)-3-[[3-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 74058369) has the molecular formula C26H34N4O5S and a molecular weight of 514.65 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[[3-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-3-[[3-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
• PubChem CID: 74058369
• Molecular Formula: C26H34N4O5S
• Molecular Weight: 514.65 g/mol
• Exact Mass: 514.22
• IUPAC Name: N-(2-hydroxyethyl)-3-[[3-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
• SMILES: O=C1Nc2ccc(S(=O)(=O)NCCO)cc2C1=Cc1[nH]c2c(c1CCCN1CCOCC1)CCCC2
• InChI: InChI=1S/C26H34N4O5S/c31-13-9-27-36(33,34)18-7-8-24-21(16-18)22(26(32)29-24)17-25-20(19-4-1-2-6-23(19)28-25)5-3-10-30-11-14-35-15-12-30/h7-8,16-17,27-28,31H,1-6,9-15H2,(H,29,32)
• InChIKey: NHMJJYBSAHQWSN-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 123.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.65
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[[3-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?

The IUPAC name of N-(2-hydroxyethyl)-3-[[3-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide (CID 74058369) is N-(2-hydroxyethyl)-3-[[3-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide.

What is the SMILES notation for N-(2-hydroxyethyl)-3-[[3-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?

The canonical SMILES for N-(2-hydroxyethyl)-3-[[3-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide is O=C1Nc2ccc(S(=O)(=O)NCCO)cc2C1=Cc1[nH]c2c(c1CCCN1CCOCC1)CCCC2.

What is the InChIKey of N-(2-hydroxyethyl)-3-[[3-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?

The InChIKey is NHMJJYBSAHQWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5S/c31-13-9-27-36(33,34)18-7-8-24-21(16-18)22(26(32)29-24)17-25-20(19-4-1-2-6-23(19)28-25)5-3-10-30-11-14-35-15-12-30/h7-8,16-17,27-28,31H,1-6,9-15H2,(H,29,32).

What are the key properties of N-(2-hydroxyethyl)-3-[[3-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?

N-(2-hydroxyethyl)-3-[[3-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 514.65 g/mol, XLogP of 1.92, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-3-[[3-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 74058369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).