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

C21H20N4O4S2 — CID 33308213

IUPACN-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)s1
InChIInChI=1S/C21H20N4O4S2/c1-24(2)31(27,28)20-11-10-16(30-20)14-22-21(26)18-13-17(19-9-6-12-29-19)23-25(18)15-7-4-3-5-8-15/h3-13H,14H2,1-2H3,(H,22,26)
InChIKeyVIJANVYCXKCPJL-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.37
Rot. Bonds7

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

N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (PubChem CID 33308213) has the molecular formula C21H20N4O4S2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
PubChem CID33308213
Molecular FormulaC21H20N4O4S2
Molecular Weight456.55 g/mol
Exact Mass456.09
IUPAC NameN-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)s1
InChIInChI=1S/C21H20N4O4S2/c1-24(2)31(27,28)20-11-10-16(30-20)14-22-21(26)18-13-17(19-9-6-12-29-19)23-25(18)15-7-4-3-5-8-15/h3-13H,14H2,1-2H3,(H,22,26)
InChIKeyVIJANVYCXKCPJL-UHFFFAOYSA-N
XLogP3.37
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(Z)-furan-2-ylmethylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide
CID 164609110
N-(2,6-difluorophenyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062151
N-(2-fluorophenyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062171
N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 32158496
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 24677266
1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(2-(4-fluorophenoxy)ethyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 44089467
N-Cycloheptyl-2-(furan-2-YL)-6-methyl-4-oxo-5-[(thiophen-2-YL)methyl]-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272581
N-(furan-2-ylmethyl)-2-(3-(morpholine-4-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl)acetamide
CID 30865626
N-(furan-2-ylmethyl)-2-(3-(4-methylpiperazine-1-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl)acetamide
CID 30865720
1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 45503141
N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)-1-methyl-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
CID 49677364
3-(furan-2-yl)-N-((4-methyl-2-(thiophen-2-yl)thiazol-5-yl)methyl)-1H-pyrazole-5-carboxamide
CID 71795401

Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (CID 33308213) is N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)s1.
What is the InChIKey of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is VIJANVYCXKCPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S2/c1-24(2)31(27,28)20-11-10-16(30-20)14-22-21(26)18-13-17(19-9-6-12-29-19)23-25(18)15-7-4-3-5-8-15/h3-13H,14H2,1-2H3,(H,22,26).
What are the key properties of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 33308213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).