2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone

C22H20N2O3S — CID 20788204

IUPAC2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone
SMILESCOc1cc(NCC(=O)N2c3ccccc3Sc3ccccc32)cc(OC)c1
InChIInChI=1S/C22H20N2O3S/c1-26-16-11-15(12-17(13-16)27-2)23-14-22(25)24-18-7-3-5-9-20(18)28-21-10-6-4-8-19(21)24/h3-13,23H,14H2,1-2H3
InChIKeyKXFZNDLAFKUWSW-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.95
Rot. Bonds5

About 2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone

2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone (PubChem CID 20788204) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone
PubChem CID20788204
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone
SMILESCOc1cc(NCC(=O)N2c3ccccc3Sc3ccccc32)cc(OC)c1
InChIInChI=1S/C22H20N2O3S/c1-26-16-11-15(12-17(13-16)27-2)23-14-22(25)24-18-7-3-5-9-20(18)28-21-10-6-4-8-19(21)24/h3-13,23H,14H2,1-2H3
InChIKeyKXFZNDLAFKUWSW-UHFFFAOYSA-N
XLogP4.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-oxo-2-phenothiazin-10-ylethyl) 3-methoxybenzoate
CID 8009407
N'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide
CID 4928260
N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide
CID 4194410
2-anilino-N-(3,5-dimethoxyphenyl)acetamide
CID 51178238
(2-oxo-2-phenothiazin-10-ylethyl) 2-methoxybenzoate
CID 2586236
1-(2-methoxyphenothiazin-10-yl)-2-methylprop-2-en-1-one
CID 54369042
2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone
CID 20569761
2-anilino-1-(3,5-dimethoxyphenyl)ethanone
CID 116555372
(5Z)-5-[(4-methoxyphenyl)methylidene]-1-[(2-oxo-2-phenothiazin-10-ylethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6448579
methylamino phenothiazine-10-carboxylate;hydrochloride
CID 16680311
2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 119710193
N-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide
CID 56923247

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone (CID 20788204) is 2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone is COc1cc(NCC(=O)N2c3ccccc3Sc3ccccc32)cc(OC)c1.
What is the InChIKey of 2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone?
The InChIKey is KXFZNDLAFKUWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-26-16-11-15(12-17(13-16)27-2)23-14-22(25)24-18-7-3-5-9-20(18)28-21-10-6-4-8-19(21)24/h3-13,23H,14H2,1-2H3.
What are the key properties of 2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone?
2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone has a molecular weight of 392.48 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 20788204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).