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

C19H22F3N3O3S — CID 78786572

IUPAC4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H22F3N3O3S/c1-25(2)17(14-6-4-3-5-7-14)12-24-29(27,28)16-10-8-15(9-11-16)18(26)23-13-19(20,21)22/h3-11,17,24H,12-13H2,1-2H3,(H,23,26)
InChIKeyRHAAEKBYPQKYJR-UHFFFAOYSA-N
MW429.46 g/mol
LogP2.56
Rot. Bonds8

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

4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 78786572) has the molecular formula C19H22F3N3O3S and a molecular weight of 429.46 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID78786572
Molecular FormulaC19H22F3N3O3S
Molecular Weight429.46 g/mol
Exact Mass429.13
IUPAC Name4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H22F3N3O3S/c1-25(2)17(14-6-4-3-5-7-14)12-24-29(27,28)16-10-8-15(9-11-16)18(26)23-13-19(20,21)22/h3-11,17,24H,12-13H2,1-2H3,(H,23,26)
InChIKeyRHAAEKBYPQKYJR-UHFFFAOYSA-N
XLogP2.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78877934
4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 4883799
N-[2-(dimethylamino)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297941
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
4-(cyanomethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 9452221
4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 86959941
N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide
CID 43001663
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55913760
N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 24818233
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119965025

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 78786572) is 4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is CN(C)C(CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is RHAAEKBYPQKYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3S/c1-25(2)17(14-6-4-3-5-7-14)12-24-29(27,28)16-10-8-15(9-11-16)18(26)23-13-19(20,21)22/h3-11,17,24H,12-13H2,1-2H3,(H,23,26).
What are the key properties of 4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 429.46 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 78786572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).