4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C16H22F3N3O4S — CID 9301663

IUPAC4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C16H22F3N3O4S/c1-4-22(5-2)14(23)10-21(3)27(25,26)13-8-6-12(7-9-13)15(24)20-11-16(17,18)19/h6-9H,4-5,10-11H2,1-3H3,(H,20,24)
InChIKeyLUSFXHJZFWTELX-UHFFFAOYSA-N
MW409.43 g/mol
LogP1.47
Rot. Bonds8

About 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 9301663) has the molecular formula C16H22F3N3O4S and a molecular weight of 409.43 g/mol. Its IUPAC name is 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID9301663
Molecular FormulaC16H22F3N3O4S
Molecular Weight409.43 g/mol
Exact Mass409.13
IUPAC Name4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C16H22F3N3O4S/c1-4-22(5-2)14(23)10-21(3)27(25,26)13-8-6-12(7-9-13)15(24)20-11-16(17,18)19/h6-9H,4-5,10-11H2,1-3H3,(H,20,24)
InChIKeyLUSFXHJZFWTELX-UHFFFAOYSA-N
XLogP1.47
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid
CID 43215458
2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 17426970
4-(cyanomethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 9452221
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78767125
4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78786572
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide
CID 34040667
N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 38369270
4-[(4-ethyl-1,2,4-triazol-3-yl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60539338
ethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 60731070
4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119965025
4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 56724224

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 9301663) is 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is LUSFXHJZFWTELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O4S/c1-4-22(5-2)14(23)10-21(3)27(25,26)13-8-6-12(7-9-13)15(24)20-11-16(17,18)19/h6-9H,4-5,10-11H2,1-3H3,(H,20,24).
What are the key properties of 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 409.43 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 9301663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).