N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide

C21H23F3N2O3S — CID 17467417

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C21H23F3N2O3S/c1-14-5-4-6-18(15(14)2)25-19(27)13-26(11-12-29-3)20(28)16-7-9-17(10-8-16)30-21(22,23)24/h4-10H,11-13H2,1-3H3,(H,25,27)
InChIKeyACGHRAZJEJWAMC-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.64
Rot. Bonds8

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 17467417) has the molecular formula C21H23F3N2O3S and a molecular weight of 440.49 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide
PubChem CID17467417
Molecular FormulaC21H23F3N2O3S
Molecular Weight440.49 g/mol
Exact Mass440.14
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C21H23F3N2O3S/c1-14-5-4-6-18(15(14)2)25-19(27)13-26(11-12-29-3)20(28)16-7-9-17(10-8-16)30-21(22,23)24/h4-10H,11-13H2,1-3H3,(H,25,27)
InChIKeyACGHRAZJEJWAMC-UHFFFAOYSA-N
XLogP4.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 17445264
3-(dimethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 17412994
2-[acetyl(2-methoxyethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159931
3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 8504506
2-[propyl-[4-(trifluoromethylsulfanyl)benzoyl]amino]acetic acid
CID 61012642
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503588
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 24684527
4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 26656595
(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide
CID 24683008
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethylsulfanyl)benzamide
CID 9091999
N-cyclohexyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide
CID 17412870
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide (CID 17467417) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide is COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is ACGHRAZJEJWAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3S/c1-14-5-4-6-18(15(14)2)25-19(27)13-26(11-12-29-3)20(28)16-7-9-17(10-8-16)30-21(22,23)24/h4-10H,11-13H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 440.49 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 17467417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).