(3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-4-morpholin-4-ylsulfonyl-1H-indol-2-one

C18H20N4O4S — CID 71155280

IUPAC(3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-4-morpholin-4-ylsulfonyl-1H-indol-2-one
SMILESCCc1ncc(/C=C2\C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c32)[nH]1
InChIInChI=1S/C18H20N4O4S/c1-2-16-19-11-12(20-16)10-13-17-14(21-18(13)23)4-3-5-15(17)27(24,25)22-6-8-26-9-7-22/h3-5,10-11H,2,6-9H2,1H3,(H,19,20)(H,21,23)/b13-10-
InChIKeyVWLSVROYTWHTEI-RAXLEYEMSA-N
MW388.45 g/mol
LogP1.49
Rot. Bonds4

About (3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-4-morpholin-4-ylsulfonyl-1H-indol-2-one

(3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-4-morpholin-4-ylsulfonyl-1H-indol-2-one (PubChem CID 71155280) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is (3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-4-morpholin-4-ylsulfonyl-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-4-morpholin-4-ylsulfonyl-1H-indol-2-one
PubChem CID71155280
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name(3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-4-morpholin-4-ylsulfonyl-1H-indol-2-one
SMILESCCc1ncc(/C=C2\C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c32)[nH]1
InChIInChI=1S/C18H20N4O4S/c1-2-16-19-11-12(20-16)10-13-17-14(21-18(13)23)4-3-5-15(17)27(24,25)22-6-8-26-9-7-22/h3-5,10-11H,2,6-9H2,1H3,(H,19,20)(H,21,23)/b13-10-
InChIKeyVWLSVROYTWHTEI-RAXLEYEMSA-N
XLogP1.49
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-4-morpholin-4-ylsulfonyl-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-4-morpholin-4-ylsulfonyl-1H-indol-2-one (CID 71155280) is (3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-4-morpholin-4-ylsulfonyl-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-4-morpholin-4-ylsulfonyl-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-4-morpholin-4-ylsulfonyl-1H-indol-2-one is CCc1ncc(/C=C2\C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c32)[nH]1.
What is the InChIKey of (3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-4-morpholin-4-ylsulfonyl-1H-indol-2-one?
The InChIKey is VWLSVROYTWHTEI-RAXLEYEMSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-2-16-19-11-12(20-16)10-13-17-14(21-18(13)23)4-3-5-15(17)27(24,25)22-6-8-26-9-7-22/h3-5,10-11H,2,6-9H2,1H3,(H,19,20)(H,21,23)/b13-10-.
What are the key properties of (3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-4-morpholin-4-ylsulfonyl-1H-indol-2-one?
(3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-4-morpholin-4-ylsulfonyl-1H-indol-2-one has a molecular weight of 388.45 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-4-morpholin-4-ylsulfonyl-1H-indol-2-one is sourced from PubChem (CID 71155280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).