N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C21H19F3N2O4S — CID 24560469

IUPACN-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C21H19F3N2O4S/c1-25-31(28,29)13-16-6-3-2-5-15(16)12-26-20(27)19-10-9-18(30-19)14-7-4-8-17(11-14)21(22,23)24/h2-11,25H,12-13H2,1H3,(H,26,27)
InChIKeyHDWZMSVXWDBGBQ-UHFFFAOYSA-N
MW452.45 g/mol
LogP3.94
Rot. Bonds7

About N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 24560469) has the molecular formula C21H19F3N2O4S and a molecular weight of 452.45 g/mol. Its IUPAC name is N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID24560469
Molecular FormulaC21H19F3N2O4S
Molecular Weight452.45 g/mol
Exact Mass452.10
IUPAC NameN-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C21H19F3N2O4S/c1-25-31(28,29)13-16-6-3-2-5-15(16)12-26-20(27)19-10-9-18(30-19)14-7-4-8-17(11-14)21(22,23)24/h2-11,25H,12-13H2,1H3,(H,26,27)
InChIKeyHDWZMSVXWDBGBQ-UHFFFAOYSA-N
XLogP3.94
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 48731441
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
N-[[3-fluoro-4-(methanesulfonamido)-5-methylphenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 44603252
N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 86888462
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26713686
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46401276
methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate
CID 59654678
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 29428114
N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4789221
N-[4-(diethylamino)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 5262527

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 24560469) is N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is HDWZMSVXWDBGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O4S/c1-25-31(28,29)13-16-6-3-2-5-15(16)12-26-20(27)19-10-9-18(30-19)14-7-4-8-17(11-14)21(22,23)24/h2-11,25H,12-13H2,1H3,(H,26,27).
What are the key properties of N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 452.45 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 24560469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).