N-[4-(dimethylsulfamoyl)phenyl]-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide

C21H25F3N4O4S — CID 2462034

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H25F3N4O4S/c1-4-28(14-20(30)26-18-8-6-5-7-17(18)21(22,23)24)13-19(29)25-15-9-11-16(12-10-15)33(31,32)27(2)3/h5-12H,4,13-14H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyFXYBETAIXGIVSE-UHFFFAOYSA-N
MW486.52 g/mol
LogP2.85
Rot. Bonds9

About N-[4-(dimethylsulfamoyl)phenyl]-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide (PubChem CID 2462034) has the molecular formula C21H25F3N4O4S and a molecular weight of 486.52 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
PubChem CID2462034
Molecular FormulaC21H25F3N4O4S
Molecular Weight486.52 g/mol
Exact Mass486.15
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H25F3N4O4S/c1-4-28(14-20(30)26-18-8-6-5-7-17(18)21(22,23)24)13-19(29)25-15-9-11-16(12-10-15)33(31,32)27(2)3/h5-12H,4,13-14H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyFXYBETAIXGIVSE-UHFFFAOYSA-N
XLogP2.85
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27199750
2-(diethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17432578
2-[benzyl(ethyl)amino]-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 8533359
N-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 55482287
4-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2474371
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9030856
2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 40710223
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9030983
2-(dibenzylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 18170938
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26623369
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 27252118

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide (CID 2462034) is N-[4-(dimethylsulfamoyl)phenyl]-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide is CCN(CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide?
The InChIKey is FXYBETAIXGIVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O4S/c1-4-28(14-20(30)26-18-8-6-5-7-17(18)21(22,23)24)13-19(29)25-15-9-11-16(12-10-15)33(31,32)27(2)3/h5-12H,4,13-14H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide has a molecular weight of 486.52 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide is sourced from PubChem (CID 2462034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).