N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

C23H28N4O3S — CID 55608162

IUPACN-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)c2C(C)C)cc1
InChIInChI=1S/C23H28N4O3S/c1-16(2)22-20(15-25-27(22)19-12-10-17(3)11-13-19)23(28)24-14-18-8-6-7-9-21(18)31(29,30)26(4)5/h6-13,15-16H,14H2,1-5H3,(H,24,28)
InChIKeyJNGQLMZDVKYOOW-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.48
Rot. Bonds7

About N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 55608162) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID55608162
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)c2C(C)C)cc1
InChIInChI=1S/C23H28N4O3S/c1-16(2)22-20(15-25-27(22)19-12-10-17(3)11-13-19)23(28)24-14-18-8-6-7-9-21(18)31(29,30)26(4)5/h6-13,15-16H,14H2,1-5H3,(H,24,28)
InChIKeyJNGQLMZDVKYOOW-UHFFFAOYSA-N
XLogP3.48
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 55608162) is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)c2C(C)C)cc1.
What is the InChIKey of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is JNGQLMZDVKYOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-16(2)22-20(15-25-27(22)19-12-10-17(3)11-13-19)23(28)24-14-18-8-6-7-9-21(18)31(29,30)26(4)5/h6-13,15-16H,14H2,1-5H3,(H,24,28).
What are the key properties of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55608162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).