3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide

C25H26N4O4S — CID 24583888

IUPAC3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C25H26N4O4S/c1-18(2)28-34(31,32)17-20-10-7-6-9-19(20)16-26-25(30)23-15-22(24-13-8-14-33-24)27-29(23)21-11-4-3-5-12-21/h3-15,18,28H,16-17H2,1-2H3,(H,26,30)
InChIKeyIWJIARRAMXZDMW-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.89
Rot. Bonds9

About 3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide

3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide (PubChem CID 24583888) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide
PubChem CID24583888
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC Name3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C25H26N4O4S/c1-18(2)28-34(31,32)17-20-10-7-6-9-19(20)16-26-25(30)23-15-22(24-13-8-14-33-24)27-29(23)21-11-4-3-5-12-21/h3-15,18,28H,16-17H2,1-2H3,(H,26,30)
InChIKeyIWJIARRAMXZDMW-UHFFFAOYSA-N
XLogP3.89
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide (CID 24583888) is 3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide is CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1.
What is the InChIKey of 3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide?
The InChIKey is IWJIARRAMXZDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-18(2)28-34(31,32)17-20-10-7-6-9-19(20)16-26-25(30)23-15-22(24-13-8-14-33-24)27-29(23)21-11-4-3-5-12-21/h3-15,18,28H,16-17H2,1-2H3,(H,26,30).
What are the key properties of 3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide?
3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 24583888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).