2-(5,5-dioxophenothiazin-10-yl)-N-(4-fluoro-2-methylphenyl)acetamide

C21H17FN2O3S — CID 20944763

IUPAC2-(5,5-dioxophenothiazin-10-yl)-N-(4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)ccc1NC(=O)CN1c2ccccc2S(=O)(=O)c2ccccc21
InChIInChI=1S/C21H17FN2O3S/c1-14-12-15(22)10-11-16(14)23-21(25)13-24-17-6-2-4-8-19(17)28(26,27)20-9-5-3-7-18(20)24/h2-12H,13H2,1H3,(H,23,25)
InChIKeyKMLORAGJGCCEAK-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.06
Rot. Bonds3

About 2-(5,5-dioxophenothiazin-10-yl)-N-(4-fluoro-2-methylphenyl)acetamide

2-(5,5-dioxophenothiazin-10-yl)-N-(4-fluoro-2-methylphenyl)acetamide (PubChem CID 20944763) has the molecular formula C21H17FN2O3S and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-(5,5-dioxophenothiazin-10-yl)-N-(4-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,5-dioxophenothiazin-10-yl)-N-(4-fluoro-2-methylphenyl)acetamide
PubChem CID20944763
Molecular FormulaC21H17FN2O3S
Molecular Weight396.44 g/mol
Exact Mass396.09
IUPAC Name2-(5,5-dioxophenothiazin-10-yl)-N-(4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)ccc1NC(=O)CN1c2ccccc2S(=O)(=O)c2ccccc21
InChIInChI=1S/C21H17FN2O3S/c1-14-12-15(22)10-11-16(14)23-21(25)13-24-17-6-2-4-8-19(17)28(26,27)20-9-5-3-7-18(20)24/h2-12H,13H2,1H3,(H,23,25)
InChIKeyKMLORAGJGCCEAK-UHFFFAOYSA-N
XLogP4.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,5-dioxophenothiazin-10-yl)-N-(3-methylphenyl)acetamide
CID 20944783
N-(4-fluoro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 50875792
N-(4-fluoro-2-methylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8865016
N-(4-fluoro-2-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8865010
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 17419729
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide
CID 110883081
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 41144879
2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 7961520
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
2-[(2R)-2-(azepane-1-carbonyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 92883009
N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,5-dioxophenothiazin-10-yl)acetamide
CID 20944810

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dioxophenothiazin-10-yl)-N-(4-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(5,5-dioxophenothiazin-10-yl)-N-(4-fluoro-2-methylphenyl)acetamide (CID 20944763) is 2-(5,5-dioxophenothiazin-10-yl)-N-(4-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(5,5-dioxophenothiazin-10-yl)-N-(4-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(5,5-dioxophenothiazin-10-yl)-N-(4-fluoro-2-methylphenyl)acetamide is Cc1cc(F)ccc1NC(=O)CN1c2ccccc2S(=O)(=O)c2ccccc21.
What is the InChIKey of 2-(5,5-dioxophenothiazin-10-yl)-N-(4-fluoro-2-methylphenyl)acetamide?
The InChIKey is KMLORAGJGCCEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3S/c1-14-12-15(22)10-11-16(14)23-21(25)13-24-17-6-2-4-8-19(17)28(26,27)20-9-5-3-7-18(20)24/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of 2-(5,5-dioxophenothiazin-10-yl)-N-(4-fluoro-2-methylphenyl)acetamide?
2-(5,5-dioxophenothiazin-10-yl)-N-(4-fluoro-2-methylphenyl)acetamide has a molecular weight of 396.44 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dioxophenothiazin-10-yl)-N-(4-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 20944763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).