5-morpholin-4-ylsulfonyl-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one

C26H32N2O5S — CID 57139652

IUPAC5-morpholin-4-ylsulfonyl-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one
SMILESCCCCCc1c(C=C2C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc32)oc2c1CCCC2
InChIInChI=1S/C26H32N2O5S/c1-2-3-4-7-20-19-8-5-6-9-24(19)33-25(20)17-22-21-16-18(10-11-23(21)27-26(22)29)34(30,31)28-12-14-32-15-13-28/h10-11,16-17H,2-9,12-15H2,1H3,(H,27,29)
InChIKeyKRUFCJXXEAEWSW-UHFFFAOYSA-N
MW484.62 g/mol
LogP4.40
Rot. Bonds7

About 5-morpholin-4-ylsulfonyl-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one

5-morpholin-4-ylsulfonyl-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one (PubChem CID 57139652) has the molecular formula C26H32N2O5S and a molecular weight of 484.62 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonyl-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonyl-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one
PubChem CID57139652
Molecular FormulaC26H32N2O5S
Molecular Weight484.62 g/mol
Exact Mass484.20
IUPAC Name5-morpholin-4-ylsulfonyl-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one
SMILESCCCCCc1c(C=C2C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc32)oc2c1CCCC2
InChIInChI=1S/C26H32N2O5S/c1-2-3-4-7-20-19-8-5-6-9-24(19)33-25(20)17-22-21-16-18(10-11-23(21)27-26(22)29)34(30,31)28-12-14-32-15-13-28/h10-11,16-17H,2-9,12-15H2,1H3,(H,27,29)
InChIKeyKRUFCJXXEAEWSW-UHFFFAOYSA-N
XLogP4.40
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-5-morpholin-4-ylsulfonyl-1H-indol-2-one
CID 57291163
5-amino-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one
CID 56993073
2-oxo-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 56974219
3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-5-iodo-1H-indol-2-one
CID 57153956
3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one
CID 50760017
3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one
CID 57163442
methyl 3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-carboxylate
CID 57159961
N-(2-hydroxyethyl)-3-[[3-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 74058369
5-amino-3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one
CID 57195875
N-[3-[3-[[2,4-dimethyl-5-[(Z)-(5-morpholin-4-ylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-5-[(Z)-(5-morpholin-4-ylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
CID 25181821
4-(4-hexylphenyl)sulfonylmorpholine
CID 84557725
ethyl 2-[[5-(2-chloroethyl)-2-oxo-1H-indol-3-ylidene]methyl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
CID 57113292

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonyl-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-morpholin-4-ylsulfonyl-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one (CID 57139652) is 5-morpholin-4-ylsulfonyl-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-morpholin-4-ylsulfonyl-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-morpholin-4-ylsulfonyl-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one is CCCCCc1c(C=C2C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc32)oc2c1CCCC2.
What is the InChIKey of 5-morpholin-4-ylsulfonyl-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is KRUFCJXXEAEWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O5S/c1-2-3-4-7-20-19-8-5-6-9-24(19)33-25(20)17-22-21-16-18(10-11-23(21)27-26(22)29)34(30,31)28-12-14-32-15-13-28/h10-11,16-17H,2-9,12-15H2,1H3,(H,27,29).
What are the key properties of 5-morpholin-4-ylsulfonyl-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one?
5-morpholin-4-ylsulfonyl-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 484.62 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylsulfonyl-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 57139652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).