(3E)-N-methyl-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide

C24H26N4O5S — CID 69344373

IUPAC(3E)-N-methyl-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)/C(=C\c1cc3cc(OCCN4CCOCC4)ccc3[nH]1)C(=O)N2
InChIInChI=1S/C24H26N4O5S/c1-25-34(30,31)19-3-5-23-20(15-19)21(24(29)27-23)14-17-12-16-13-18(2-4-22(16)26-17)33-11-8-28-6-9-32-10-7-28/h2-5,12-15,25-26H,6-11H2,1H3,(H,27,29)/b21-14+
InChIKeyIFWUVJNPZRTJEL-KGENOOAVSA-N
MW482.56 g/mol
LogP2.28
Rot. Bonds7

About (3E)-N-methyl-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide

(3E)-N-methyl-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 69344373) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is (3E)-N-methyl-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3E)-N-methyl-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
PubChem CID69344373
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name(3E)-N-methyl-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)/C(=C\c1cc3cc(OCCN4CCOCC4)ccc3[nH]1)C(=O)N2
InChIInChI=1S/C24H26N4O5S/c1-25-34(30,31)19-3-5-23-20(15-19)21(24(29)27-23)14-17-12-16-13-18(2-4-22(16)26-17)33-11-8-28-6-9-32-10-7-28/h2-5,12-15,25-26H,6-11H2,1H3,(H,27,29)/b21-14+
InChIKeyIFWUVJNPZRTJEL-KGENOOAVSA-N
XLogP2.28
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-methyl-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of (3E)-N-methyl-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide (CID 69344373) is (3E)-N-methyl-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for (3E)-N-methyl-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for (3E)-N-methyl-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)/C(=C\c1cc3cc(OCCN4CCOCC4)ccc3[nH]1)C(=O)N2.
What is the InChIKey of (3E)-N-methyl-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is IFWUVJNPZRTJEL-KGENOOAVSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-25-34(30,31)19-3-5-23-20(15-19)21(24(29)27-23)14-17-12-16-13-18(2-4-22(16)26-17)33-11-8-28-6-9-32-10-7-28/h2-5,12-15,25-26H,6-11H2,1H3,(H,27,29)/b21-14+.
What are the key properties of (3E)-N-methyl-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?
(3E)-N-methyl-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 482.56 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-methyl-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 69344373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).