2-(2-methylphenoxy)-1-phenothiazin-10-ylethanone

C21H17NO2S — CID 3038598

IUPAC2-(2-methylphenoxy)-1-phenothiazin-10-ylethanone
SMILESCc1ccccc1OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H17NO2S/c1-15-8-2-5-11-18(15)24-14-21(23)22-16-9-3-6-12-19(16)25-20-13-7-4-10-17(20)22/h2-13H,14H2,1H3
InChIKeyHCGVHVKMRKKQAX-UHFFFAOYSA-N
MW347.44 g/mol
LogP5.20
Rot. Bonds3

About 2-(2-methylphenoxy)-1-phenothiazin-10-ylethanone

2-(2-methylphenoxy)-1-phenothiazin-10-ylethanone (PubChem CID 3038598) has the molecular formula C21H17NO2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-(2-methylphenoxy)-1-phenothiazin-10-ylethanone
PubChem CID3038598
Molecular FormulaC21H17NO2S
Molecular Weight347.44 g/mol
Exact Mass347.10
IUPAC Name2-(2-methylphenoxy)-1-phenothiazin-10-ylethanone
SMILESCc1ccccc1OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H17NO2S/c1-15-8-2-5-11-18(15)24-14-21(23)22-16-9-3-6-12-19(16)25-20-13-7-4-10-17(20)22/h2-13H,14H2,1H3
InChIKeyHCGVHVKMRKKQAX-UHFFFAOYSA-N
XLogP5.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.20
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
o-tolyl 10H-phenothiazine-10-carboxylate
CID 24905592
p-tolyl 10H-phenothiazine-10-carboxylate
CID 24905594
2-(4-methoxyphenoxy)-1-(10H-phenothiazin-10-yl)ethanone
CID 607829
ethyl 2-(10H-phenothiazin-10-ylcarbonyl)phenyl ether
CID 753236
m-tolyl 10H-phenothiazine-10-carboxylate
CID 24905593
2-(2-methylphenoxy)-N-{2-methyl-4-[(phenylthio)methyl]phenyl}acetamide
CID 1334682
2-tert-butylphenyl 10H-phenothiazine-10-carboxylate
CID 24905655
(5Z)-5-[[4-(2-oxo-2-phenothiazin-10-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46947276
2-(2-methylphenoxy)-N-[2-(methylthio)phenyl]acetamide
CID 900788
2-(2-methylphenoxy)-N-[3-(methylsulfanyl)phenyl]acetamide
CID 835998

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-(2-methylphenoxy)-1-phenothiazin-10-ylethanone (CID 3038598) is 2-(2-methylphenoxy)-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-(2-methylphenoxy)-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-(2-methylphenoxy)-1-phenothiazin-10-ylethanone is Cc1ccccc1OCC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-(2-methylphenoxy)-1-phenothiazin-10-ylethanone?
The InChIKey is HCGVHVKMRKKQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2S/c1-15-8-2-5-11-18(15)24-14-21(23)22-16-9-3-6-12-19(16)25-20-13-7-4-10-17(20)22/h2-13H,14H2,1H3.
What are the key properties of 2-(2-methylphenoxy)-1-phenothiazin-10-ylethanone?
2-(2-methylphenoxy)-1-phenothiazin-10-ylethanone has a molecular weight of 347.44 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 3038598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).