N-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide

C19H21N3O2S — CID 15918618

IUPACN-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(C)=O
InChIInChI=1S/C19H21N3O2S/c1-12(23)21(5)15-7-9-17-19(11-15)25-18-10-14(20(3)4)6-8-16(18)22(17)13(2)24/h6-11H,1-5H3
InChIKeyJMKJRKUWCFTFQD-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.88
Rot. Bonds2

About N-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide

N-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide (PubChem CID 15918618) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide
PubChem CID15918618
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(C)=O
InChIInChI=1S/C19H21N3O2S/c1-12(23)21(5)15-7-9-17-19(11-15)25-18-10-14(20(3)4)6-8-16(18)22(17)13(2)24/h6-11H,1-5H3
InChIKeyJMKJRKUWCFTFQD-UHFFFAOYSA-N
XLogP3.88
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride
CID 23558007
1-[3,8-bis(dimethylamino)-6H-cyclohepta[b][1,4]benzothiazin-11-yl]ethanone
CID 143608884
azane;1-(3,7-diaminophenothiazin-10-yl)ethanone
CID 67214426
1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chloride
CID 159676609
1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone;[7-(dimethylazaniumyl)-10H-phenothiazin-3-yl]-dimethylazanium;ethane-1,2-disulfonate;methane
CID 165038110
[3-(dimethylamino)-7-[ethyl(methyl)amino]phenothiazin-10-yl]-phenylmethanone
CID 71181789
2-[[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]amino]ethanesulfonate
CID 153427895
3,7-bis(dimethylamino)-N'-(4-hydroxyphenyl)sulfonylphenothiazine-10-carbohydrazide
CID 164822712
2-(4-hydroxyphenyl)ethyl 3,7-bis(dimethylamino)phenothiazine-10-carboxylate
CID 155349410
1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;chloride
CID 158285711
N,N,7,10-tetramethylphenothiazin-3-amine
CID 162186059
ethyl 4-[[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]amino]butanoate
CID 139461111

Frequently Asked Questions

What is the IUPAC name of N-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide?
The IUPAC name of N-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide (CID 15918618) is N-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide is CC(=O)N(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(C)=O.
What is the InChIKey of N-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide?
The InChIKey is JMKJRKUWCFTFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12(23)21(5)15-7-9-17-19(11-15)25-18-10-14(20(3)4)6-8-16(18)22(17)13(2)24/h6-11H,1-5H3.
What are the key properties of N-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide?
N-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide has a molecular weight of 355.46 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide is sourced from PubChem (CID 15918618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).