3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

C20H23F3N2O3S — CID 112764022

IUPAC3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O3S/c1-13(2)25(4)29(27,28)18-10-6-8-16(12-18)19(26)24-14(3)15-7-5-9-17(11-15)20(21,22)23/h5-14H,1-4H3,(H,24,26)
InChIKeySVJHVSJCKSNRID-UHFFFAOYSA-N
MW428.48 g/mol
LogP4.23
Rot. Bonds6

About 3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 112764022) has the molecular formula C20H23F3N2O3S and a molecular weight of 428.48 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID112764022
Molecular FormulaC20H23F3N2O3S
Molecular Weight428.48 g/mol
Exact Mass428.14
IUPAC Name3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O3S/c1-13(2)25(4)29(27,28)18-10-6-8-16(12-18)19(26)24-14(3)15-7-5-9-17(11-15)20(21,22)23/h5-14H,1-4H3,(H,24,26)
InChIKeySVJHVSJCKSNRID-UHFFFAOYSA-N
XLogP4.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylsulfamoyl)-4,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 134028925
3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764046
3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764009
3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 47004839
3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46449027
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 9116458
3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17458520
N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 133231354
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 28560234
3-(pyrimidin-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42948719
N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733491
5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide
CID 79691672

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 112764022) is 3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is CC(NC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is SVJHVSJCKSNRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3S/c1-13(2)25(4)29(27,28)18-10-6-8-16(12-18)19(26)24-14(3)15-7-5-9-17(11-15)20(21,22)23/h5-14H,1-4H3,(H,24,26).
What are the key properties of 3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 428.48 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 112764022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).