1-phenothiazin-10-yl-2-phenoxyethanone

C20H15NO2S — CID 667799

IUPAC1-phenothiazin-10-yl-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H15NO2S/c22-20(14-23-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2
InChIKeyGMEIPDIZUYTPOX-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.89
Rot. Bonds3

About 1-phenothiazin-10-yl-2-phenoxyethanone

1-phenothiazin-10-yl-2-phenoxyethanone (PubChem CID 667799) has the molecular formula C20H15NO2S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-phenothiazin-10-yl-2-phenoxyethanone.

Molecular Properties

Compound Name1-phenothiazin-10-yl-2-phenoxyethanone
PubChem CID667799
Molecular FormulaC20H15NO2S
Molecular Weight333.41 g/mol
Exact Mass333.08
IUPAC Name1-phenothiazin-10-yl-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H15NO2S/c22-20(14-23-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2
InChIKeyGMEIPDIZUYTPOX-UHFFFAOYSA-N
XLogP4.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-phenothiazin-10-yl-2-phenoxyethanone 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 1-phenothiazin-10-yl-2-phenoxyethanone?
The IUPAC name of 1-phenothiazin-10-yl-2-phenoxyethanone (CID 667799) is 1-phenothiazin-10-yl-2-phenoxyethanone.
What is the SMILES notation for 1-phenothiazin-10-yl-2-phenoxyethanone?
The canonical SMILES for 1-phenothiazin-10-yl-2-phenoxyethanone is O=C(COc1ccccc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 1-phenothiazin-10-yl-2-phenoxyethanone?
The InChIKey is GMEIPDIZUYTPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2S/c22-20(14-23-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2.
What are the key properties of 1-phenothiazin-10-yl-2-phenoxyethanone?
1-phenothiazin-10-yl-2-phenoxyethanone has a molecular weight of 333.41 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenothiazin-10-yl-2-phenoxyethanone is sourced from PubChem (CID 667799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).