N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide

C21H22F3N3O4S — CID 68885330

IUPACN-[(4-cyanophenyl)methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)COCCN(C)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H22F3N3O4S/c1-26(14-17-9-7-16(13-25)8-10-17)20(28)15-31-12-11-27(2)32(29,30)19-6-4-3-5-18(19)21(22,23)24/h3-10H,11-12,14-15H2,1-2H3
InChIKeyDJLXCEBWZPPUSM-UHFFFAOYSA-N
MW469.49 g/mol
LogP2.87
Rot. Bonds9

About N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide

N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide (PubChem CID 68885330) has the molecular formula C21H22F3N3O4S and a molecular weight of 469.49 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide
PubChem CID68885330
Molecular FormulaC21H22F3N3O4S
Molecular Weight469.49 g/mol
Exact Mass469.13
IUPAC NameN-[(4-cyanophenyl)methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)COCCN(C)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H22F3N3O4S/c1-26(14-17-9-7-16(13-25)8-10-17)20(28)15-31-12-11-27(2)32(29,30)19-6-4-3-5-18(19)21(22,23)24/h3-10H,11-12,14-15H2,1-2H3
InChIKeyDJLXCEBWZPPUSM-UHFFFAOYSA-N
XLogP2.87
TPSA90.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide 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

tert-butyl 2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetate
CID 90794385
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 112788277
2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
CID 57342494
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 103601917
3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide
CID 39860943
3-(4-tert-butylphenyl)-N-[(4-cyanophenyl)methyl]-N-methylpropanamide
CID 39859716
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
2-[4-[[[2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetyl]-methylamino]methyl]phenyl]-4,5-dihydroimidazole-1-carboxylic acid
CID 69317874
[2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984059
N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 107206454
N-[(4-cyanophenyl)methyl]-N-methylbutanamide
CID 60737799

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide (CID 68885330) is N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide is CN(Cc1ccc(C#N)cc1)C(=O)COCCN(C)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide?
The InChIKey is DJLXCEBWZPPUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O4S/c1-26(14-17-9-7-16(13-25)8-10-17)20(28)15-31-12-11-27(2)32(29,30)19-6-4-3-5-18(19)21(22,23)24/h3-10H,11-12,14-15H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide?
N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide has a molecular weight of 469.49 g/mol, XLogP of 2.87, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide is sourced from PubChem (CID 68885330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).