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

C24H19NO2S — CID 59572859

IUPAC2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide
SMILESCc1ccc2c(c1)S(=O)c1cc(C)oc1N2c1ccccc1-c1ccccc1
InChIInChI=1S/C24H19NO2S/c1-16-12-13-21-22(14-16)28(26)23-15-17(2)27-24(23)25(21)20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-15H,1-2H3
InChIKeyIPUHPSTVWYOLRW-UHFFFAOYSA-N
MW385.49 g/mol
LogP6.51
Rot. Bonds2

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

2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide (PubChem CID 59572859) has the molecular formula C24H19NO2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide.

Molecular Properties

Compound Name2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide
PubChem CID59572859
Molecular FormulaC24H19NO2S
Molecular Weight385.49 g/mol
Exact Mass385.11
IUPAC Name2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide
SMILESCc1ccc2c(c1)S(=O)c1cc(C)oc1N2c1ccccc1-c1ccccc1
InChIInChI=1S/C24H19NO2S/c1-16-12-13-21-22(14-16)28(26)23-15-17(2)27-24(23)25(21)20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-15H,1-2H3
InChIKeyIPUHPSTVWYOLRW-UHFFFAOYSA-N
XLogP6.51
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide?
The IUPAC name of 2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide (CID 59572859) is 2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide.
What is the SMILES notation for 2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide?
The canonical SMILES for 2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide is Cc1ccc2c(c1)S(=O)c1cc(C)oc1N2c1ccccc1-c1ccccc1.
What is the InChIKey of 2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide?
The InChIKey is IPUHPSTVWYOLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2S/c1-16-12-13-21-22(14-16)28(26)23-15-17(2)27-24(23)25(21)20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-15H,1-2H3.
What are the key properties of 2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide?
2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide has a molecular weight of 385.49 g/mol, XLogP of 6.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide is sourced from PubChem (CID 59572859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).