(2-oxo-2-phenothiazin-10-ylethyl) 2-phenoxyacetate

C22H17NO4S — CID 2056602

IUPAC(2-oxo-2-phenothiazin-10-ylethyl) 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H17NO4S/c24-21(14-27-22(25)15-26-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)28-20-13-7-5-11-18(20)23/h1-13H,14-15H2
InChIKeyDNQFORNIPSGABE-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.44
Rot. Bonds5

About (2-oxo-2-phenothiazin-10-ylethyl) 2-phenoxyacetate

(2-oxo-2-phenothiazin-10-ylethyl) 2-phenoxyacetate (PubChem CID 2056602) has the molecular formula C22H17NO4S and a molecular weight of 391.45 g/mol. Its IUPAC name is (2-oxo-2-phenothiazin-10-ylethyl) 2-phenoxyacetate.

Molecular Properties

Compound Name(2-oxo-2-phenothiazin-10-ylethyl) 2-phenoxyacetate
PubChem CID2056602
Molecular FormulaC22H17NO4S
Molecular Weight391.45 g/mol
Exact Mass391.09
IUPAC Name(2-oxo-2-phenothiazin-10-ylethyl) 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H17NO4S/c24-21(14-27-22(25)15-26-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)28-20-13-7-5-11-18(20)23/h1-13H,14-15H2
InChIKeyDNQFORNIPSGABE-UHFFFAOYSA-N
XLogP4.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-oxo-2-phenothiazin-10-ylethyl) 2-phenoxyacetate 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 (2-oxo-2-phenothiazin-10-ylethyl) 2-phenoxyacetate?
The IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-phenoxyacetate (CID 2056602) is (2-oxo-2-phenothiazin-10-ylethyl) 2-phenoxyacetate.
What is the SMILES notation for (2-oxo-2-phenothiazin-10-ylethyl) 2-phenoxyacetate?
The canonical SMILES for (2-oxo-2-phenothiazin-10-ylethyl) 2-phenoxyacetate is O=C(COc1ccccc1)OCC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (2-oxo-2-phenothiazin-10-ylethyl) 2-phenoxyacetate?
The InChIKey is DNQFORNIPSGABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4S/c24-21(14-27-22(25)15-26-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)28-20-13-7-5-11-18(20)23/h1-13H,14-15H2.
What are the key properties of (2-oxo-2-phenothiazin-10-ylethyl) 2-phenoxyacetate?
(2-oxo-2-phenothiazin-10-ylethyl) 2-phenoxyacetate has a molecular weight of 391.45 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenothiazin-10-ylethyl) 2-phenoxyacetate is sourced from PubChem (CID 2056602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).