3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide

C18H19F3N2O4S — CID 46449405

IUPAC3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NC(C)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C18H19F3N2O4S/c1-3-22-28(25,26)16-6-4-5-14(11-16)17(24)23-12(2)13-7-9-15(10-8-13)27-18(19,20)21/h4-12,22H,3H2,1-2H3,(H,23,24)
InChIKeyRVIAVHNSNUEMGU-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.37
Rot. Bonds7

About 3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide

3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide (PubChem CID 46449405) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
PubChem CID46449405
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NC(C)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C18H19F3N2O4S/c1-3-22-28(25,26)16-6-4-5-14(11-16)17(24)23-12(2)13-7-9-15(10-8-13)27-18(19,20)21/h4-12,22H,3H2,1-2H3,(H,23,24)
InChIKeyRVIAVHNSNUEMGU-UHFFFAOYSA-N
XLogP3.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 34112734
3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 43062333
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46449027
N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 132663597
N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 133231293
N-[1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 134045494
2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide
CID 174334932
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9410285
3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 55570733
3-acetamido-4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46485290
N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24639119

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide (CID 46449405) is 3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide is CCNS(=O)(=O)c1cccc(C(=O)NC(C)c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
The InChIKey is RVIAVHNSNUEMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-3-22-28(25,26)16-6-4-5-14(11-16)17(24)23-12(2)13-7-9-15(10-8-13)27-18(19,20)21/h4-12,22H,3H2,1-2H3,(H,23,24).
What are the key properties of 3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide has a molecular weight of 416.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 46449405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).