9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine 4-oxide

C23H25NO2S — CID 59572557

IUPAC9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine 4-oxide
SMILESCc1cc2c(o1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccccc1S2=O
InChIInChI=1S/C23H25NO2S/c1-14-11-17(23(4,5)6)12-15(2)21(14)24-18-9-7-8-10-19(18)27(25)20-13-16(3)26-22(20)24/h7-13H,1-6H3
InChIKeyHWWVEGJYYCITOR-UHFFFAOYSA-N
MW379.53 g/mol
LogP6.45
Rot. Bonds1

About 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine 4-oxide

9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine 4-oxide (PubChem CID 59572557) has the molecular formula C23H25NO2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine 4-oxide.

Molecular Properties

Compound Name9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine 4-oxide
PubChem CID59572557
Molecular FormulaC23H25NO2S
Molecular Weight379.53 g/mol
Exact Mass379.16
IUPAC Name9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine 4-oxide
SMILESCc1cc2c(o1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccccc1S2=O
InChIInChI=1S/C23H25NO2S/c1-14-11-17(23(4,5)6)12-15(2)21(14)24-18-9-7-8-10-19(18)27(25)20-13-16(3)26-22(20)24/h7-13H,1-6H3
InChIKeyHWWVEGJYYCITOR-UHFFFAOYSA-N
XLogP6.45
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine 4-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine 4-oxide?
The IUPAC name of 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine 4-oxide (CID 59572557) is 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine 4-oxide.
What is the SMILES notation for 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine 4-oxide?
The canonical SMILES for 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine 4-oxide is Cc1cc2c(o1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccccc1S2=O.
What is the InChIKey of 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine 4-oxide?
The InChIKey is HWWVEGJYYCITOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2S/c1-14-11-17(23(4,5)6)12-15(2)21(14)24-18-9-7-8-10-19(18)27(25)20-13-16(3)26-22(20)24/h7-13H,1-6H3.
What are the key properties of 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine 4-oxide?
9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine 4-oxide has a molecular weight of 379.53 g/mol, XLogP of 6.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine 4-oxide is sourced from PubChem (CID 59572557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).