9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide

C19H17NO4S — CID 59572347

IUPAC9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide
SMILESCOc1cc(C)cc(OC)c1N1c2ccccc2S(=O)c2ccoc21
InChIInChI=1S/C19H17NO4S/c1-12-10-14(22-2)18(15(11-12)23-3)20-13-6-4-5-7-16(13)25(21)17-8-9-24-19(17)20/h4-11H,1-3H3
InChIKeyIOKAHJNKJGBJIU-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.56
Rot. Bonds3

About 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide

9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide (PubChem CID 59572347) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide.

Molecular Properties

Compound Name9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide
PubChem CID59572347
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide
SMILESCOc1cc(C)cc(OC)c1N1c2ccccc2S(=O)c2ccoc21
InChIInChI=1S/C19H17NO4S/c1-12-10-14(22-2)18(15(11-12)23-3)20-13-6-4-5-7-16(13)25(21)17-8-9-24-19(17)20/h4-11H,1-3H3
InChIKeyIOKAHJNKJGBJIU-UHFFFAOYSA-N
XLogP4.56
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide?
The IUPAC name of 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide (CID 59572347) is 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide.
What is the SMILES notation for 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide?
The canonical SMILES for 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide is COc1cc(C)cc(OC)c1N1c2ccccc2S(=O)c2ccoc21.
What is the InChIKey of 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide?
The InChIKey is IOKAHJNKJGBJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-12-10-14(22-2)18(15(11-12)23-3)20-13-6-4-5-7-16(13)25(21)17-8-9-24-19(17)20/h4-11H,1-3H3.
What are the key properties of 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide?
9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide has a molecular weight of 355.42 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide is sourced from PubChem (CID 59572347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).