3-phenyl-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzothiazine

C22H23NOS — CID 134402637

IUPAC3-phenyl-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzothiazine
SMILESCC(C)c1oc2c(c1-c1ccccc1)N(C(C)C)c1ccccc1S2
InChIInChI=1S/C22H23NOS/c1-14(2)21-19(16-10-6-5-7-11-16)20-22(24-21)25-18-13-9-8-12-17(18)23(20)15(3)4/h5-15H,1-4H3
InChIKeySKFFMFNDYGKSSH-UHFFFAOYSA-N
MW349.50 g/mol
LogP7.08
Rot. Bonds3

About 3-phenyl-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzothiazine

3-phenyl-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzothiazine (PubChem CID 134402637) has the molecular formula C22H23NOS and a molecular weight of 349.50 g/mol. Its IUPAC name is 3-phenyl-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzothiazine.

Molecular Properties

Compound Name3-phenyl-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzothiazine
PubChem CID134402637
Molecular FormulaC22H23NOS
Molecular Weight349.50 g/mol
Exact Mass349.15
IUPAC Name3-phenyl-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzothiazine
SMILESCC(C)c1oc2c(c1-c1ccccc1)N(C(C)C)c1ccccc1S2
InChIInChI=1S/C22H23NOS/c1-14(2)21-19(16-10-6-5-7-11-16)20-22(24-21)25-18-13-9-8-12-17(18)23(20)15(3)4/h5-15H,1-4H3
InChIKeySKFFMFNDYGKSSH-UHFFFAOYSA-N
XLogP7.08
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.50
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzothiazine?
The IUPAC name of 3-phenyl-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzothiazine (CID 134402637) is 3-phenyl-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzothiazine.
What is the SMILES notation for 3-phenyl-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzothiazine?
The canonical SMILES for 3-phenyl-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzothiazine is CC(C)c1oc2c(c1-c1ccccc1)N(C(C)C)c1ccccc1S2.
What is the InChIKey of 3-phenyl-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzothiazine?
The InChIKey is SKFFMFNDYGKSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NOS/c1-14(2)21-19(16-10-6-5-7-11-16)20-22(24-21)25-18-13-9-8-12-17(18)23(20)15(3)4/h5-15H,1-4H3.
What are the key properties of 3-phenyl-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzothiazine?
3-phenyl-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzothiazine has a molecular weight of 349.50 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzothiazine is sourced from PubChem (CID 134402637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).