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

C23H24N4O5S — CID 69343405

IUPAC(3E)-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)/C(=C\c1cc3cc(OCCN4CCOCC4)ccc3[nH]1)C(=O)N2
InChIInChI=1S/C23H24N4O5S/c24-33(29,30)18-2-4-22-19(14-18)20(23(28)26-22)13-16-11-15-12-17(1-3-21(15)25-16)32-10-7-27-5-8-31-9-6-27/h1-4,11-14,25H,5-10H2,(H,26,28)(H2,24,29,30)/b20-13+
InChIKeyRTJHQHMDMPRKOW-DEDYPNTBSA-N
MW468.54 g/mol
LogP2.02
Rot. Bonds6

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

(3E)-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 69343405) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is (3E)-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3E)-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
PubChem CID69343405
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC Name(3E)-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)/C(=C\c1cc3cc(OCCN4CCOCC4)ccc3[nH]1)C(=O)N2
InChIInChI=1S/C23H24N4O5S/c24-33(29,30)18-2-4-22-19(14-18)20(23(28)26-22)13-16-11-15-12-17(1-3-21(15)25-16)32-10-7-27-5-8-31-9-6-27/h1-4,11-14,25H,5-10H2,(H,26,28)(H2,24,29,30)/b20-13+
InChIKeyRTJHQHMDMPRKOW-DEDYPNTBSA-N
XLogP2.02
TPSA126.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.02
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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Related Compounds

3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonic acid
CID 87792409
(3E)-N-methyl-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 69344373
(3Z)-5-chloro-3-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 59190140
(3Z)-5-bromo-3-[[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]methylidene]-1H-indol-2-one
CID 22042082
7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one
CID 16666861
(3Z)-3-[[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]methylidene]-5-phenyl-1H-indol-2-one
CID 22042135
ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate
CID 11623861
(3E)-5-bromo-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
CID 22500316
(3Z)-3-[[3,5-dimethyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 58779642
(3Z)-3-[[4-[(cyclopropylmethylamino)methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylsulfonyl]-1H-indol-2-one
CID 66605333
(3Z)-3-[1-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-indol-2-yl]ethylidene]-2-oxo-N-phenyl-1H-indole-5-sulfonamide
CID 10144317
3-[[2-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one
CID 78015917

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of (3E)-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide (CID 69343405) is (3E)-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for (3E)-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for (3E)-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)/C(=C\c1cc3cc(OCCN4CCOCC4)ccc3[nH]1)C(=O)N2.
What is the InChIKey of (3E)-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is RTJHQHMDMPRKOW-DEDYPNTBSA-N. The full InChI is InChI=1S/C23H24N4O5S/c24-33(29,30)18-2-4-22-19(14-18)20(23(28)26-22)13-16-11-15-12-17(1-3-21(15)25-16)32-10-7-27-5-8-31-9-6-27/h1-4,11-14,25H,5-10H2,(H,26,28)(H2,24,29,30)/b20-13+.
What are the key properties of (3E)-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide?
(3E)-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 468.54 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 69343405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).