1-benzyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide

C24H24N4O3S2 — CID 55846538

IUPAC1-benzyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C24H24N4O3S2/c1-27(2)33(30,31)20-12-10-18(11-13-20)15-25-24(29)21-17-28(16-19-7-4-3-5-8-19)26-23(21)22-9-6-14-32-22/h3-14,17H,15-16H2,1-2H3,(H,25,29)
InChIKeyYAYQSXWOKZKTKW-UHFFFAOYSA-N
MW480.62 g/mol
LogP3.84
Rot. Bonds8

About 1-benzyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide

1-benzyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 55846538) has the molecular formula C24H24N4O3S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is 1-benzyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID55846538
Molecular FormulaC24H24N4O3S2
Molecular Weight480.62 g/mol
Exact Mass480.13
IUPAC Name1-benzyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C24H24N4O3S2/c1-27(2)33(30,31)20-12-10-18(11-13-20)15-25-24(29)21-17-28(16-19-7-4-3-5-8-19)26-23(21)22-9-6-14-32-22/h3-14,17H,15-16H2,1-2H3,(H,25,29)
InChIKeyYAYQSXWOKZKTKW-UHFFFAOYSA-N
XLogP3.84
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 46454982
1-benzyl-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9208106
1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 9360117
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9480877
1-benzyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 46434281
1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282124
1-benzyl-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 46592121
N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 56586324
1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55509705
1-benzyl-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55876505
1-benzyl-N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 29352915
1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282130

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide (CID 55846538) is 1-benzyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1.
What is the InChIKey of 1-benzyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is YAYQSXWOKZKTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S2/c1-27(2)33(30,31)20-12-10-18(11-13-20)15-25-24(29)21-17-28(16-19-7-4-3-5-8-19)26-23(21)22-9-6-14-32-22/h3-14,17H,15-16H2,1-2H3,(H,25,29).
What are the key properties of 1-benzyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide?
1-benzyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 480.62 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55846538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).