6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide

C25H21NO3S — CID 59572293

IUPAC6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide
SMILESCc1ccc(N2c3ccccc3S(=O)(=O)c3c2oc2ccccc32)c2c1CCCC2
InChIInChI=1S/C25H21NO3S/c1-16-14-15-20(18-9-3-2-8-17(16)18)26-21-11-5-7-13-23(21)30(27,28)24-19-10-4-6-12-22(19)29-25(24)26/h4-7,10-15H,2-3,8-9H2,1H3
InChIKeyBFUGBAYCDUSZBZ-UHFFFAOYSA-N
MW415.51 g/mol
LogP6.24
Rot. Bonds1

About 6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide

6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide (PubChem CID 59572293) has the molecular formula C25H21NO3S and a molecular weight of 415.51 g/mol. Its IUPAC name is 6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide.

Molecular Properties

Compound Name6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide
PubChem CID59572293
Molecular FormulaC25H21NO3S
Molecular Weight415.51 g/mol
Exact Mass415.12
IUPAC Name6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide
SMILESCc1ccc(N2c3ccccc3S(=O)(=O)c3c2oc2ccccc32)c2c1CCCC2
InChIInChI=1S/C25H21NO3S/c1-16-14-15-20(18-9-3-2-8-17(16)18)26-21-11-5-7-13-23(21)30(27,28)24-19-10-4-6-12-22(19)29-25(24)26/h4-7,10-15H,2-3,8-9H2,1H3
InChIKeyBFUGBAYCDUSZBZ-UHFFFAOYSA-N
XLogP6.24
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide 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 6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide?
The IUPAC name of 6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide (CID 59572293) is 6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide.
What is the SMILES notation for 6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide?
The canonical SMILES for 6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide is Cc1ccc(N2c3ccccc3S(=O)(=O)c3c2oc2ccccc32)c2c1CCCC2.
What is the InChIKey of 6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide?
The InChIKey is BFUGBAYCDUSZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3S/c1-16-14-15-20(18-9-3-2-8-17(16)18)26-21-11-5-7-13-23(21)30(27,28)24-19-10-4-6-12-22(19)29-25(24)26/h4-7,10-15H,2-3,8-9H2,1H3.
What are the key properties of 6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide?
6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide has a molecular weight of 415.51 g/mol, XLogP of 6.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide is sourced from PubChem (CID 59572293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).