N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C20H23F3N2O3S — CID 26619521

IUPACN-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H23F3N2O3S/c1-14(2)25(4)29(27,28)18-7-5-6-16(12-18)19(26)24(3)13-15-8-10-17(11-9-15)20(21,22)23/h5-12,14H,13H2,1-4H3
InChIKeyDQSXAJRGFPHIOT-UHFFFAOYSA-N
MW428.48 g/mol
LogP4.01
Rot. Bonds6

About N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 26619521) has the molecular formula C20H23F3N2O3S and a molecular weight of 428.48 g/mol. Its IUPAC name is N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID26619521
Molecular FormulaC20H23F3N2O3S
Molecular Weight428.48 g/mol
Exact Mass428.14
IUPAC NameN-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H23F3N2O3S/c1-14(2)25(4)29(27,28)18-7-5-6-16(12-18)19(26)24(3)13-15-8-10-17(11-9-15)20(21,22)23/h5-12,14H,13H2,1-4H3
InChIKeyDQSXAJRGFPHIOT-UHFFFAOYSA-N
XLogP4.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134023630
3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 59836602
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 26731707
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 26665113
N-[(4-ethylphenyl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 38045291
N-methyl-3-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55787151
3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764022
3-[methyl(propan-2-yl)sulfamoyl]-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide
CID 46473392
3-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 26913083
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26722152
N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 39972148
N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 109062895

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 26619521) is N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is DQSXAJRGFPHIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3S/c1-14(2)25(4)29(27,28)18-7-5-6-16(12-18)19(26)24(3)13-15-8-10-17(11-9-15)20(21,22)23/h5-12,14H,13H2,1-4H3.
What are the key properties of N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 428.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 26619521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).