2-(4-methoxyphenoxy)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone

C22H16F3NO3S — CID 624474

IUPAC2-(4-methoxyphenoxy)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
SMILESCOc1ccc(OCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1
InChIInChI=1S/C22H16F3NO3S/c1-28-15-7-9-16(10-8-15)29-13-21(27)26-17-4-2-3-5-19(17)30-20-11-6-14(12-18(20)26)22(23,24)25/h2-12H,13H2,1H3
InChIKeyQOVKFOAKVZOGIG-UHFFFAOYSA-N
MW431.44 g/mol
LogP5.92
Rot. Bonds4

About 2-(4-methoxyphenoxy)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone

2-(4-methoxyphenoxy)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone (PubChem CID 624474) has the molecular formula C22H16F3NO3S and a molecular weight of 431.44 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
PubChem CID624474
Molecular FormulaC22H16F3NO3S
Molecular Weight431.44 g/mol
Exact Mass431.08
IUPAC Name2-(4-methoxyphenoxy)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
SMILESCOc1ccc(OCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1
InChIInChI=1S/C22H16F3NO3S/c1-28-15-7-9-16(10-8-15)29-13-21(27)26-17-4-2-3-5-19(17)30-20-11-6-14(12-18(20)26)22(23,24)25/h2-12H,13H2,1H3
InChIKeyQOVKFOAKVZOGIG-UHFFFAOYSA-N
XLogP5.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.44
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10H-Phenothiazine, 10-((2-naphthalenyloxy)acetyl)-
CID 1350746
10H-Phenothiazine, 10-(phenoxyacetyl)-
CID 667799
2-(4-methoxyphenoxy)-1-(10H-phenothiazin-10-yl)ethanone
CID 607829
10-(3-(4-(methyloxy)phenyl)acryloyl)-2-(trifluoromethyl)-10H-phenothiazine
CID 1931608
N-(2-ethoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
CID 2886868
2-(3-Fluorophenoxy)-1-phenothiazin-10-ylethan-1-one
CID 4614316
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
2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-propoxyphenyl)acetamide
CID 2856384
N-(2-butoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
CID 2913845

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenoxy)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone (CID 624474) is 2-(4-methoxyphenoxy)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenoxy)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone is COc1ccc(OCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone?
The InChIKey is QOVKFOAKVZOGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3NO3S/c1-28-15-7-9-16(10-8-15)29-13-21(27)26-17-4-2-3-5-19(17)30-20-11-6-14(12-18(20)26)22(23,24)25/h2-12H,13H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone?
2-(4-methoxyphenoxy)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone has a molecular weight of 431.44 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone is sourced from PubChem (CID 624474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).