4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide

C23H28N4O3S — CID 53139373

IUPAC4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Cn3nc(C)c(S(=O)(=O)N(C)C)c3C)cc2)cc1
InChIInChI=1S/C23H28N4O3S/c1-16-6-8-19(9-7-16)14-24-23(28)21-12-10-20(11-13-21)15-27-18(3)22(17(2)25-27)31(29,30)26(4)5/h6-13H,14-15H2,1-5H3,(H,24,28)
InChIKeySCARTQXTLVNEIE-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.04
Rot. Bonds7

About 4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide

4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 53139373) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID53139373
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Cn3nc(C)c(S(=O)(=O)N(C)C)c3C)cc2)cc1
InChIInChI=1S/C23H28N4O3S/c1-16-6-8-19(9-7-16)14-24-23(28)21-12-10-20(11-13-21)15-27-18(3)22(17(2)25-27)31(29,30)26(4)5/h6-13H,14-15H2,1-5H3,(H,24,28)
InChIKeySCARTQXTLVNEIE-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 53139579
N,N,3,5-tetramethyl-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 53139381
1-[(4-cyanophenyl)methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide
CID 2558397
3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 50794639
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 53139483
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34906685
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-sulfonyl chloride
CID 43531725
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 53139565
4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 46349145
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide
CID 53139562
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethylbenzamide
CID 19338051

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide (CID 53139373) is 4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(Cn3nc(C)c(S(=O)(=O)N(C)C)c3C)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is SCARTQXTLVNEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-16-6-8-19(9-7-16)14-24-23(28)21-12-10-20(11-13-21)15-27-18(3)22(17(2)25-27)31(29,30)26(4)5/h6-13H,14-15H2,1-5H3,(H,24,28).
What are the key properties of 4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide?
4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 440.57 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 53139373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).