5-(tert-butylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide

C20H21F3N4O4S — CID 55668556

IUPAC5-(tert-butylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H21F3N4O4S/c1-12-10-16(27(25-12)14-7-5-6-13(11-14)20(21,22)23)24-18(28)15-8-9-17(31-15)32(29,30)26-19(2,3)4/h5-11,26H,1-4H3,(H,24,28)
InChIKeyWDLITHQZTIBCDD-UHFFFAOYSA-N
MW470.47 g/mol
LogP4.12
Rot. Bonds5

About 5-(tert-butylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide

5-(tert-butylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 55668556) has the molecular formula C20H21F3N4O4S and a molecular weight of 470.47 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide
PubChem CID55668556
Molecular FormulaC20H21F3N4O4S
Molecular Weight470.47 g/mol
Exact Mass470.12
IUPAC Name5-(tert-butylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H21F3N4O4S/c1-12-10-16(27(25-12)14-7-5-6-13(11-14)20(21,22)23)24-18(28)15-8-9-17(31-15)32(29,30)26-19(2,3)4/h5-11,26H,1-4H3,(H,24,28)
InChIKeyWDLITHQZTIBCDD-UHFFFAOYSA-N
XLogP4.12
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(tert-butylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide 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-(5-oxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 756305
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
N-(2-(3,4-dimethylphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 4073432
N-(5,5-dioxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 5202767
N-[2-(2,3-dimethylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-2-furamide
CID 4244753
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 3287183
N-(5,5-dioxido-2-phenyl-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 4139161
N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
CID 4459760
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]furan-2-carboxamide
CID 2373973
N-(2-(4-fluorophenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 4107151
N-(6-methylpyridin-2-yl)-5-(N-(3-(trifluoromethyl)phenyl)sulfamoyl)furan-2-carboxamide
CID 44072153
N-[3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-phenylpyrazol-5-yl]furan-2-carboxamide
CID 2323881

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide (CID 55668556) is 5-(tert-butylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is WDLITHQZTIBCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O4S/c1-12-10-16(27(25-12)14-7-5-6-13(11-14)20(21,22)23)24-18(28)15-8-9-17(31-15)32(29,30)26-19(2,3)4/h5-11,26H,1-4H3,(H,24,28).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide?
5-(tert-butylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 470.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 55668556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).