2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-6-methylsulfonylindole

C20H19NO4S — CID 20718981

IUPAC2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-6-methylsulfonylindole
SMILESCOc1ccc2cc(-c3c(C)c4ccc(S(C)(=O)=O)cc4n3C)oc2c1
InChIInChI=1S/C20H19NO4S/c1-12-16-8-7-15(26(4,22)23)11-17(16)21(2)20(12)19-9-13-5-6-14(24-3)10-18(13)25-19/h5-11H,1-4H3
InChIKeyQJUKWAAPGUHXDX-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.31
Rot. Bonds3

About 2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-6-methylsulfonylindole

2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-6-methylsulfonylindole (PubChem CID 20718981) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-6-methylsulfonylindole.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-6-methylsulfonylindole
PubChem CID20718981
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-6-methylsulfonylindole
SMILESCOc1ccc2cc(-c3c(C)c4ccc(S(C)(=O)=O)cc4n3C)oc2c1
InChIInChI=1S/C20H19NO4S/c1-12-16-8-7-15(26(4,22)23)11-17(16)21(2)20(12)19-9-13-5-6-14(24-3)10-18(13)25-19/h5-11H,1-4H3
InChIKeyQJUKWAAPGUHXDX-UHFFFAOYSA-N
XLogP4.31
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one
CID 7245877
2-(6-methoxy-1-benzofuran-2-yl)-3-methylimidazo[4,5-c]pyridine
CID 167831156
2-(4-methoxyphenyl)-1-benzofuran-6-ol
CID 14887928
7-methoxy-2-oxochromene-3-carbaldehyde
CID 10420437
4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium
CID 23312199
2-(3,5-dimethoxy-4-propan-2-ylphenyl)-5-methylsulfonyl-1-benzofuran
CID 170781889
2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol
CID 641806
4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium iodide
CID 23312198
7-methoxy-3-(4-methylphenyl)chromen-2-one
CID 73211962
(4E)-2-(4-methoxyphenyl)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)imino]chromen-6-ol
CID 20998312
2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4611489
1-ethyl-2-(6-methoxy-1-benzofuran-2-yl)imidazole;hydrochloride
CID 3073611

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-6-methylsulfonylindole?
The IUPAC name of 2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-6-methylsulfonylindole (CID 20718981) is 2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-6-methylsulfonylindole.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-6-methylsulfonylindole?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-6-methylsulfonylindole is COc1ccc2cc(-c3c(C)c4ccc(S(C)(=O)=O)cc4n3C)oc2c1.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-6-methylsulfonylindole?
The InChIKey is QJUKWAAPGUHXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-12-16-8-7-15(26(4,22)23)11-17(16)21(2)20(12)19-9-13-5-6-14(24-3)10-18(13)25-19/h5-11H,1-4H3.
What are the key properties of 2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-6-methylsulfonylindole?
2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-6-methylsulfonylindole has a molecular weight of 369.44 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-6-methylsulfonylindole is sourced from PubChem (CID 20718981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).