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

C24H17NO2S — CID 2317080

IUPAC2-naphthalen-1-yloxy-1-phenothiazin-10-ylethanone
SMILESO=C(COc1cccc2ccccc12)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H17NO2S/c26-24(16-27-21-13-7-9-17-8-1-2-10-18(17)21)25-19-11-3-5-14-22(19)28-23-15-6-4-12-20(23)25/h1-15H,16H2
InChIKeyGSTPYWQVDHSGNJ-UHFFFAOYSA-N
MW383.47 g/mol
LogP6.05
Rot. Bonds3

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

2-naphthalen-1-yloxy-1-phenothiazin-10-ylethanone (PubChem CID 2317080) has the molecular formula C24H17NO2S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-1-phenothiazin-10-ylethanone
PubChem CID2317080
Molecular FormulaC24H17NO2S
Molecular Weight383.47 g/mol
Exact Mass383.10
IUPAC Name2-naphthalen-1-yloxy-1-phenothiazin-10-ylethanone
SMILESO=C(COc1cccc2ccccc12)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H17NO2S/c26-24(16-27-21-13-7-9-17-8-1-2-10-18(17)21)25-19-11-3-5-14-22(19)28-23-15-6-4-12-20(23)25/h1-15H,16H2
InChIKeyGSTPYWQVDHSGNJ-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-((2-naphthalenyloxy)acetyl)-
CID 1350746
10H-Phenothiazine, 10-(phenoxyacetyl)-
CID 667799
naphthalen-1-yl 10H-phenothiazine-10-carboxylate
CID 16645664
naphthalen-2-yl 10H-phenothiazine-10-carboxylate
CID 24905710
1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-(naphthalen-1-yloxy)-ethanone
CID 1112978
2-Naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 685759
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-((2-methylphenoxy)acetyl)-
CID 3038598
10H-Phenothiazine, 10-((3-methylphenoxy)acetyl)-
CID 3078039
2-(4-Methoxyphenoxy)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
CID 624474

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-naphthalen-1-yloxy-1-phenothiazin-10-ylethanone (CID 2317080) is 2-naphthalen-1-yloxy-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-naphthalen-1-yloxy-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-naphthalen-1-yloxy-1-phenothiazin-10-ylethanone is O=C(COc1cccc2ccccc12)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-naphthalen-1-yloxy-1-phenothiazin-10-ylethanone?
The InChIKey is GSTPYWQVDHSGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO2S/c26-24(16-27-21-13-7-9-17-8-1-2-10-18(17)21)25-19-11-3-5-14-22(19)28-23-15-6-4-12-20(23)25/h1-15H,16H2.
What are the key properties of 2-naphthalen-1-yloxy-1-phenothiazin-10-ylethanone?
2-naphthalen-1-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-1-yloxy-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 2317080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).