(2-oxo-2-phenothiazin-10-ylethyl) 2-naphthalen-2-yloxyacetate

C26H19NO4S — CID 3631168

IUPAC(2-oxo-2-phenothiazin-10-ylethyl) 2-naphthalen-2-yloxyacetate
SMILESO=C(COc1ccc2ccccc2c1)OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C26H19NO4S/c28-25(27-21-9-3-5-11-23(21)32-24-12-6-4-10-22(24)27)16-31-26(29)17-30-20-14-13-18-7-1-2-8-19(18)15-20/h1-15H,16-17H2
InChIKeyWURLSUUVOGLGCO-UHFFFAOYSA-N
MW441.51 g/mol
LogP5.59
Rot. Bonds5

About (2-oxo-2-phenothiazin-10-ylethyl) 2-naphthalen-2-yloxyacetate

(2-oxo-2-phenothiazin-10-ylethyl) 2-naphthalen-2-yloxyacetate (PubChem CID 3631168) has the molecular formula C26H19NO4S and a molecular weight of 441.51 g/mol. Its IUPAC name is (2-oxo-2-phenothiazin-10-ylethyl) 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name(2-oxo-2-phenothiazin-10-ylethyl) 2-naphthalen-2-yloxyacetate
PubChem CID3631168
Molecular FormulaC26H19NO4S
Molecular Weight441.51 g/mol
Exact Mass441.10
IUPAC Name(2-oxo-2-phenothiazin-10-ylethyl) 2-naphthalen-2-yloxyacetate
SMILESO=C(COc1ccc2ccccc2c1)OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C26H19NO4S/c28-25(27-21-9-3-5-11-23(21)32-24-12-6-4-10-22(24)27)16-31-26(29)17-30-20-14-13-18-7-1-2-8-19(18)15-20/h1-15H,16-17H2
InChIKeyWURLSUUVOGLGCO-UHFFFAOYSA-N
XLogP5.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.51
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10H-Phenothiazine, 10-((2-naphthalenyloxy)acetyl)-
CID 1350746
naphthalen-1-yl 10H-phenothiazine-10-carboxylate
CID 16645664
naphthalen-2-yl 10H-phenothiazine-10-carboxylate
CID 24905710
[2-(N-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583233
2-[6-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-1-phenothiazin-10-ylethanone
CID 134157879
10H-Phenothiazine, 10-((4-methylphenoxy)acetyl)-
CID 2112185
10H-Phenothiazine, 10-((1-naphthalenyloxy)acetyl)-
CID 2317080
10H-Phenothiazine, 10-((2-methylphenoxy)acetyl)-
CID 3038598
10H-Phenothiazine, 10-((3-methylphenoxy)acetyl)-
CID 3078039
(4-Phenylphenyl) phenothiazine-10-carboxylate
CID 24905657
1-phenothiazin-10-yl-2-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]ethanone
CID 1213293
dimethyl 2-{2,2-dimethyl-1-[(naphthalen-2-yloxy)acetyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
CID 3786855

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-naphthalen-2-yloxyacetate?
The IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-naphthalen-2-yloxyacetate (CID 3631168) is (2-oxo-2-phenothiazin-10-ylethyl) 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for (2-oxo-2-phenothiazin-10-ylethyl) 2-naphthalen-2-yloxyacetate?
The canonical SMILES for (2-oxo-2-phenothiazin-10-ylethyl) 2-naphthalen-2-yloxyacetate is O=C(COc1ccc2ccccc2c1)OCC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (2-oxo-2-phenothiazin-10-ylethyl) 2-naphthalen-2-yloxyacetate?
The InChIKey is WURLSUUVOGLGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO4S/c28-25(27-21-9-3-5-11-23(21)32-24-12-6-4-10-22(24)27)16-31-26(29)17-30-20-14-13-18-7-1-2-8-19(18)15-20/h1-15H,16-17H2.
What are the key properties of (2-oxo-2-phenothiazin-10-ylethyl) 2-naphthalen-2-yloxyacetate?
(2-oxo-2-phenothiazin-10-ylethyl) 2-naphthalen-2-yloxyacetate has a molecular weight of 441.51 g/mol, XLogP of 5.59, 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-naphthalen-2-yloxyacetate is sourced from PubChem (CID 3631168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).