4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C18H19F3N2O4S — CID 78877934

IUPAC4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOC(CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H19F3N2O4S/c1-27-16(13-5-3-2-4-6-13)11-23-28(25,26)15-9-7-14(8-10-15)17(24)22-12-18(19,20)21/h2-10,16,23H,11-12H2,1H3,(H,22,24)
InChIKeyXNDIBIARJAEHTB-UHFFFAOYSA-N
MW416.42 g/mol
LogP2.64
Rot. Bonds8

About 4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 78877934) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is 4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID78877934
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOC(CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H19F3N2O4S/c1-27-16(13-5-3-2-4-6-13)11-23-28(25,26)15-9-7-14(8-10-15)17(24)22-12-18(19,20)21/h2-10,16,23H,11-12H2,1H3,(H,22,24)
InChIKeyXNDIBIARJAEHTB-UHFFFAOYSA-N
XLogP2.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide with MolForge

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Related Compounds

4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78786572
4-(cyanomethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 9452221
4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55352591
4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 86959941
4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119965025
4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 40665030
4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55913760
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
CID 119528684
4-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55353830
4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8844139
4-(ethylsulfamoyl)-N-(3-methyl-2-phenylbutyl)benzamide
CID 46441337

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 78877934) is 4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is COC(CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is XNDIBIARJAEHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-27-16(13-5-3-2-4-6-13)11-23-28(25,26)15-9-7-14(8-10-15)17(24)22-12-18(19,20)21/h2-10,16,23H,11-12H2,1H3,(H,22,24).
What are the key properties of 4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 416.42 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 78877934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).