2-(5,5-dioxophenothiazin-10-yl)-N-(3-methylphenyl)acetamide

C21H18N2O3S — CID 20944783

IUPAC2-(5,5-dioxophenothiazin-10-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2c3ccccc3S(=O)(=O)c3ccccc32)c1
InChIInChI=1S/C21H18N2O3S/c1-15-7-6-8-16(13-15)22-21(24)14-23-17-9-2-4-11-19(17)27(25,26)20-12-5-3-10-18(20)23/h2-13H,14H2,1H3,(H,22,24)
InChIKeyQWFWGMRMWPDCPK-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.92
Rot. Bonds3

About 2-(5,5-dioxophenothiazin-10-yl)-N-(3-methylphenyl)acetamide

2-(5,5-dioxophenothiazin-10-yl)-N-(3-methylphenyl)acetamide (PubChem CID 20944783) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(5,5-dioxophenothiazin-10-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,5-dioxophenothiazin-10-yl)-N-(3-methylphenyl)acetamide
PubChem CID20944783
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name2-(5,5-dioxophenothiazin-10-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2c3ccccc3S(=O)(=O)c3ccccc32)c1
InChIInChI=1S/C21H18N2O3S/c1-15-7-6-8-16(13-15)22-21(24)14-23-17-9-2-4-11-19(17)27(25,26)20-12-5-3-10-18(20)23/h2-13H,14H2,1H3,(H,22,24)
InChIKeyQWFWGMRMWPDCPK-UHFFFAOYSA-N
XLogP3.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,5-dioxophenothiazin-10-yl)acetamide
CID 20944810
2-(5,5-dioxophenothiazin-10-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 20944763
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-(3-methylphenyl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9038995
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8874197
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide
CID 2652852
2-[(3E)-3-[hydroxy(phenyl)methylidene]-1,1,4-trioxo-1λ6,2-benzothiazin-2-yl]-N-(3-methylphenyl)acetamide
CID 50993255
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(3-methylphenyl)acetamide
CID 78896555
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
CID 60865505
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(3-methylphenyl)acetamide
CID 3398584
2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-methylphenyl)acetamide
CID 51406091

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dioxophenothiazin-10-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(5,5-dioxophenothiazin-10-yl)-N-(3-methylphenyl)acetamide (CID 20944783) is 2-(5,5-dioxophenothiazin-10-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(5,5-dioxophenothiazin-10-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(5,5-dioxophenothiazin-10-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2c3ccccc3S(=O)(=O)c3ccccc32)c1.
What is the InChIKey of 2-(5,5-dioxophenothiazin-10-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is QWFWGMRMWPDCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-15-7-6-8-16(13-15)22-21(24)14-23-17-9-2-4-11-19(17)27(25,26)20-12-5-3-10-18(20)23/h2-13H,14H2,1H3,(H,22,24).
What are the key properties of 2-(5,5-dioxophenothiazin-10-yl)-N-(3-methylphenyl)acetamide?
2-(5,5-dioxophenothiazin-10-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 378.45 g/mol, XLogP of 3.92, 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 20944783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).