3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide

C20H24F3N3O4S — CID 55720773

IUPAC3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCCN(C)CC(F)(F)F)c1
InChIInChI=1S/C20H24F3N3O4S/c1-26(14-20(21,22)23)12-6-11-24-19(27)15-7-5-8-16(13-15)31(28,29)25-17-9-3-4-10-18(17)30-2/h3-5,7-10,13,25H,6,11-12,14H2,1-2H3,(H,24,27)
InChIKeyZWHDYQYYMGYTRD-UHFFFAOYSA-N
MW459.49 g/mol
LogP3.11
Rot. Bonds10

About 3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide

3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide (PubChem CID 55720773) has the molecular formula C20H24F3N3O4S and a molecular weight of 459.49 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
PubChem CID55720773
Molecular FormulaC20H24F3N3O4S
Molecular Weight459.49 g/mol
Exact Mass459.14
IUPAC Name3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCCN(C)CC(F)(F)F)c1
InChIInChI=1S/C20H24F3N3O4S/c1-26(14-20(21,22)23)12-6-11-24-19(27)15-7-5-8-16(13-15)31(28,29)25-17-9-3-4-10-18(17)30-2/h3-5,7-10,13,25H,6,11-12,14H2,1-2H3,(H,24,27)
InChIKeyZWHDYQYYMGYTRD-UHFFFAOYSA-N
XLogP3.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]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

N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 109064246
3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55716024
3-[(2-chlorophenyl)sulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109064248
N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide
CID 109064243
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylbutan-2-yl)benzamide
CID 51185857
3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 24686310
N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 31588662
3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 55394039
3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60533253

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
The IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide (CID 55720773) is 3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide.
What is the SMILES notation for 3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
The canonical SMILES for 3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCCN(C)CC(F)(F)F)c1.
What is the InChIKey of 3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
The InChIKey is ZWHDYQYYMGYTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O4S/c1-26(14-20(21,22)23)12-6-11-24-19(27)15-7-5-8-16(13-15)31(28,29)25-17-9-3-4-10-18(17)30-2/h3-5,7-10,13,25H,6,11-12,14H2,1-2H3,(H,24,27).
What are the key properties of 3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide has a molecular weight of 459.49 g/mol, XLogP of 3.11, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide is sourced from PubChem (CID 55720773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).