2-naphthalen-2-yloxy-1-phenothiazin-10-ylethanone

C24H17NO2S — CID 1350746

IUPAC2-naphthalen-2-yloxy-1-phenothiazin-10-ylethanone
SMILESO=C(COc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H17NO2S/c26-24(16-27-19-14-13-17-7-1-2-8-18(17)15-19)25-20-9-3-5-11-22(20)28-23-12-6-4-10-21(23)25/h1-15H,16H2
InChIKeyJWHPKDFMULSKHJ-UHFFFAOYSA-N
MW383.47 g/mol
LogP6.05
Rot. Bonds3

About 2-naphthalen-2-yloxy-1-phenothiazin-10-ylethanone

2-naphthalen-2-yloxy-1-phenothiazin-10-ylethanone (PubChem CID 1350746) has the molecular formula C24H17NO2S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-phenothiazin-10-ylethanone
PubChem CID1350746
Molecular FormulaC24H17NO2S
Molecular Weight383.47 g/mol
Exact Mass383.10
IUPAC Name2-naphthalen-2-yloxy-1-phenothiazin-10-ylethanone
SMILESO=C(COc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H17NO2S/c26-24(16-27-19-14-13-17-7-1-2-8-18(17)15-19)25-20-9-3-5-11-22(20)28-23-12-6-4-10-21(23)25/h1-15H,16H2
InChIKeyJWHPKDFMULSKHJ-UHFFFAOYSA-N
XLogP6.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.47
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10H-Phenothiazine, 10-(phenoxyacetyl)-
CID 667799
naphthalen-1-yl 10H-phenothiazine-10-carboxylate
CID 16645664
naphthalen-2-yl 10H-phenothiazine-10-carboxylate
CID 24905710
2-Naphthalen-2-yloxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 875122
2-(naphthalen-2-yloxy)-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone
CID 3826660
(5Z)-5-[[4-(2-oxo-2-phenothiazin-10-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46947276
N-[3-(methylsulfanyl)phenyl]-2-(1-naphthyloxy)acetamide
CID 1540015
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

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-naphthalen-2-yloxy-1-phenothiazin-10-ylethanone (CID 1350746) is 2-naphthalen-2-yloxy-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-naphthalen-2-yloxy-1-phenothiazin-10-ylethanone is O=C(COc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-naphthalen-2-yloxy-1-phenothiazin-10-ylethanone?
The InChIKey is JWHPKDFMULSKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO2S/c26-24(16-27-19-14-13-17-7-1-2-8-18(17)15-19)25-20-9-3-5-11-22(20)28-23-12-6-4-10-21(23)25/h1-15H,16H2.
What are the key properties of 2-naphthalen-2-yloxy-1-phenothiazin-10-ylethanone?
2-naphthalen-2-yloxy-1-phenothiazin-10-ylethanone has a molecular weight of 383.47 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 1350746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).