3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide

C17H17F3N2O4S — CID 34554888

IUPAC3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)26-15-4-2-1-3-13(15)11-22-16(23)10-7-12-5-8-14(9-6-12)27(21,24)25/h1-6,8-9H,7,10-11H2,(H,22,23)(H2,21,24,25)
InChIKeyGVFIFYHMKKCAEG-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.48
Rot. Bonds7

About 3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide

3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide (PubChem CID 34554888) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is 3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
PubChem CID34554888
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC Name3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)26-15-4-2-1-3-13(15)11-22-16(23)10-7-12-5-8-14(9-6-12)27(21,24)25/h1-6,8-9H,7,10-11H2,(H,22,23)(H2,21,24,25)
InChIKeyGVFIFYHMKKCAEG-UHFFFAOYSA-N
XLogP2.48
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[2-(4-sulfamoylphenyl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111848010
3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 34322367
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 18132676
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide
CID 46455661
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-phenylpropanamide
CID 110441563
4-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 63309225
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide
CID 41438320
3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 9451822
3-[4-(tert-butylsulfamoyl)phenyl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 2206104
3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 22108283
4-[2-[3-[2-(trifluoromethoxy)phenyl]propanoylamino]ethyl]benzoic acid
CID 119168879
tert-butyl N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]carbamate
CID 34555299

Frequently Asked Questions

What is the IUPAC name of 3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of 3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide (CID 34554888) is 3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide is NS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of 3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is GVFIFYHMKKCAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c18-17(19,20)26-15-4-2-1-3-13(15)11-22-16(23)10-7-12-5-8-14(9-6-12)27(21,24)25/h1-6,8-9H,7,10-11H2,(H,22,23)(H2,21,24,25).
What are the key properties of 3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 402.39 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 34554888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).