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

C26H29N3O5S — CID 6239459

IUPAC(3Z)-1-ethyl-3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one
SMILESCCN1C(=O)/C(=C\c2cn(CCOC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C26H29N3O5S/c1-3-29-25-9-8-20(35(31,32)28-11-14-34-15-12-28)17-22(25)23(26(29)30)16-19-18-27(10-13-33-2)24-7-5-4-6-21(19)24/h4-9,16-18H,3,10-15H2,1-2H3/b23-16-
InChIKeyZPVFYDFGSHTULK-KQWNVCNZSA-N
MW495.60 g/mol
LogP3.22
Rot. Bonds7

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

(3Z)-1-ethyl-3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one (PubChem CID 6239459) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is (3Z)-1-ethyl-3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one.

Molecular Properties

Compound Name(3Z)-1-ethyl-3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one
PubChem CID6239459
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC Name(3Z)-1-ethyl-3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one
SMILESCCN1C(=O)/C(=C\c2cn(CCOC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C26H29N3O5S/c1-3-29-25-9-8-20(35(31,32)28-11-14-34-15-12-28)17-22(25)23(26(29)30)16-19-18-27(10-13-33-2)24-7-5-4-6-21(19)24/h4-9,16-18H,3,10-15H2,1-2H3/b23-16-
InChIKeyZPVFYDFGSHTULK-KQWNVCNZSA-N
XLogP3.22
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

1-ethyl-3-[[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one
CID 4979808
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-(5-methyl-2-propan-2-ylphenoxy)ethyl]indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one
CID 6239464
N,N-diethyl-2-[3-[(Z)-(1-ethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-3-ylidene)methyl]indol-1-yl]acetamide
CID 6239449
1-ethyl-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one
CID 4979827
3-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylidene]-1-ethyl-5-morpholin-4-ylsulfonylindol-2-one
CID 4979784
3-[[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]methylidene]-1-methyl-5-morpholin-4-ylsulfonylindol-2-one
CID 4979501
1-methyl-5-morpholin-4-ylsulfonyl-3-[[1-(3-phenoxypropyl)indol-3-yl]methylidene]indol-2-one
CID 4979486
3-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-1-methyl-5-morpholin-4-ylsulfonylindol-2-one
CID 4979494
(3Z)-1-ethyl-5-morpholin-4-ylsulfonyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylidene]indol-2-one
CID 6239524
(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

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-ethyl-3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one?
The IUPAC name of (3Z)-1-ethyl-3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one (CID 6239459) is (3Z)-1-ethyl-3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one.
What is the SMILES notation for (3Z)-1-ethyl-3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one?
The canonical SMILES for (3Z)-1-ethyl-3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one is CCN1C(=O)/C(=C\c2cn(CCOC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of (3Z)-1-ethyl-3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one?
The InChIKey is ZPVFYDFGSHTULK-KQWNVCNZSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-3-29-25-9-8-20(35(31,32)28-11-14-34-15-12-28)17-22(25)23(26(29)30)16-19-18-27(10-13-33-2)24-7-5-4-6-21(19)24/h4-9,16-18H,3,10-15H2,1-2H3/b23-16-.
What are the key properties of (3Z)-1-ethyl-3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one?
(3Z)-1-ethyl-3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one has a molecular weight of 495.60 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-ethyl-3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one is sourced from PubChem (CID 6239459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).