N-[1-(3-sulfamoylphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C20H17F3N2O4S — CID 55396044

IUPACN-[1-(3-sulfamoylphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H17F3N2O4S/c1-12(13-4-3-7-16(11-13)30(24,27)28)25-19(26)18-9-8-17(29-18)14-5-2-6-15(10-14)20(21,22)23/h2-12H,1H3,(H,25,26)(H2,24,27,28)
InChIKeyYURAJNSZTAOUHO-UHFFFAOYSA-N
MW438.43 g/mol
LogP4.10
Rot. Bonds5

About N-[1-(3-sulfamoylphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[1-(3-sulfamoylphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 55396044) has the molecular formula C20H17F3N2O4S and a molecular weight of 438.43 g/mol. Its IUPAC name is N-[1-(3-sulfamoylphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-sulfamoylphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID55396044
Molecular FormulaC20H17F3N2O4S
Molecular Weight438.43 g/mol
Exact Mass438.09
IUPAC NameN-[1-(3-sulfamoylphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H17F3N2O4S/c1-12(13-4-3-7-16(11-13)30(24,27)28)25-19(26)18-9-8-17(29-18)14-5-2-6-15(10-14)20(21,22)23/h2-12H,1H3,(H,25,26)(H2,24,27,28)
InChIKeyYURAJNSZTAOUHO-UHFFFAOYSA-N
XLogP4.10
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4789221
N-[1-[3-fluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 44603327
5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide
CID 51150524
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
CID 78814202
N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 167857934
N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 86888462
3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213455
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
N-[2-[2-(4-methoxyanilino)ethylamino]-2-oxo-1-phenylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 11353173
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-sulfamoylphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[1-(3-sulfamoylphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 55396044) is N-[1-(3-sulfamoylphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(3-sulfamoylphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(3-sulfamoylphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is CC(NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of N-[1-(3-sulfamoylphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is YURAJNSZTAOUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O4S/c1-12(13-4-3-7-16(11-13)30(24,27)28)25-19(26)18-9-8-17(29-18)14-5-2-6-15(10-14)20(21,22)23/h2-12H,1H3,(H,25,26)(H2,24,27,28).
What are the key properties of N-[1-(3-sulfamoylphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[1-(3-sulfamoylphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 438.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-sulfamoylphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55396044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).