N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

C23H24N4O4S2 — CID 24598644

IUPACN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)s1
InChIInChI=1S/C23H24N4O4S2/c1-3-26(4-2)33(29,30)22-13-12-18(32-22)16-24-23(28)20-15-19(21-11-8-14-31-21)25-27(20)17-9-6-5-7-10-17/h5-15H,3-4,16H2,1-2H3,(H,24,28)
InChIKeyDFGURUDTLWMIJP-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.15
Rot. Bonds9

About N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (PubChem CID 24598644) has the molecular formula C23H24N4O4S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
PubChem CID24598644
Molecular FormulaC23H24N4O4S2
Molecular Weight484.60 g/mol
Exact Mass484.12
IUPAC NameN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)s1
InChIInChI=1S/C23H24N4O4S2/c1-3-26(4-2)33(29,30)22-13-12-18(32-22)16-24-23(28)20-15-19(21-11-8-14-31-21)25-27(20)17-9-6-5-7-10-17/h5-15H,3-4,16H2,1-2H3,(H,24,28)
InChIKeyDFGURUDTLWMIJP-UHFFFAOYSA-N
XLogP4.15
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (CID 24598644) is N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)s1.
What is the InChIKey of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is DFGURUDTLWMIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S2/c1-3-26(4-2)33(29,30)22-13-12-18(32-22)16-24-23(28)20-15-19(21-11-8-14-31-21)25-27(20)17-9-6-5-7-10-17/h5-15H,3-4,16H2,1-2H3,(H,24,28).
What are the key properties of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 24598644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).