1-ethyl-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one

C29H32N4O6S — CID 4979827

IUPAC1-ethyl-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one
SMILESCCN1C(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C29H32N4O6S/c1-2-33-27-8-7-22(40(36,37)32-11-15-39-16-12-32)18-24(27)25(29(33)35)17-21-19-31(26-6-4-3-5-23(21)26)20-28(34)30-9-13-38-14-10-30/h3-8,17-19H,2,9-16,20H2,1H3
InChIKeyPEZWDQKYIVKLMM-UHFFFAOYSA-N
MW564.66 g/mol
LogP2.43
Rot. Bonds6

About 1-ethyl-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one

1-ethyl-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one (PubChem CID 4979827) has the molecular formula C29H32N4O6S and a molecular weight of 564.66 g/mol. Its IUPAC name is 1-ethyl-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one
PubChem CID4979827
Molecular FormulaC29H32N4O6S
Molecular Weight564.66 g/mol
Exact Mass564.20
IUPAC Name1-ethyl-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one
SMILESCCN1C(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C29H32N4O6S/c1-2-33-27-8-7-22(40(36,37)32-11-15-39-16-12-32)18-24(27)25(29(33)35)17-21-19-31(26-6-4-3-5-23(21)26)20-28(34)30-9-13-38-14-10-30/h3-8,17-19H,2,9-16,20H2,1H3
InChIKeyPEZWDQKYIVKLMM-UHFFFAOYSA-N
XLogP2.43
TPSA101.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.66
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-[3-[(Z)-(1-ethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-3-ylidene)methyl]indol-1-yl]acetamide
CID 6239449
(3Z)-1-methyl-5-morpholin-4-ylsulfonyl-3-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]indol-2-one
CID 6239417
1-methyl-5-morpholin-4-ylsulfonyl-3-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]indol-2-one
CID 4979772
2-[3-[(Z)-(1-ethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-3-ylidene)methyl]indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 6239425
(3Z)-1-ethyl-3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one
CID 6239459
1-methyl-3-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one
CID 4979773
3-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylidene]-1-ethyl-5-morpholin-4-ylsulfonylindol-2-one
CID 4979784
1-ethyl-3-[[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one
CID 4979808
(3Z)-1-ethyl-3-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one
CID 6239464
3-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-1-methyl-5-morpholin-4-ylsulfonylindol-2-one
CID 4979494
3-[(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)methylidene]-1-ethyl-5-morpholin-4-ylsulfonylindol-2-one
CID 4979872
1-methyl-5-morpholin-4-ylsulfonyl-3-[[1-(3-phenoxypropyl)indol-3-yl]methylidene]indol-2-one
CID 4979486

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one?
The IUPAC name of 1-ethyl-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one (CID 4979827) is 1-ethyl-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one.
What is the SMILES notation for 1-ethyl-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one?
The canonical SMILES for 1-ethyl-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one is CCN1C(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of 1-ethyl-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one?
The InChIKey is PEZWDQKYIVKLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O6S/c1-2-33-27-8-7-22(40(36,37)32-11-15-39-16-12-32)18-24(27)25(29(33)35)17-21-19-31(26-6-4-3-5-23(21)26)20-28(34)30-9-13-38-14-10-30/h3-8,17-19H,2,9-16,20H2,1H3.
What are the key properties of 1-ethyl-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one?
1-ethyl-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one has a molecular weight of 564.66 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one is sourced from PubChem (CID 4979827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).