N-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide

C19H28N4O3S — CID 8891296

IUPACN-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide
SMILESCc1nn(CC(=O)N(Cc2ccccc2)C(C)C)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C19H28N4O3S/c1-14(2)22(12-17-10-8-7-9-11-17)18(24)13-23-16(4)19(15(3)20-23)27(25,26)21(5)6/h7-11,14H,12-13H2,1-6H3
InChIKeyWHJLZENKWJFECY-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.19
Rot. Bonds7

About N-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide

N-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 8891296) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide
PubChem CID8891296
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC NameN-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide
SMILESCc1nn(CC(=O)N(Cc2ccccc2)C(C)C)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C19H28N4O3S/c1-14(2)22(12-17-10-8-7-9-11-17)18(24)13-23-16(4)19(15(3)20-23)27(25,26)21(5)6/h7-11,14H,12-13H2,1-6H3
InChIKeyWHJLZENKWJFECY-UHFFFAOYSA-N
XLogP2.19
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 8009619
N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide
CID 8561430
2-[4-[ethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 60548087
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 8010824
N-(3-aminopropyl)-N-benzyl-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
CID 120713830
2-(benzimidazol-1-yl)-N-benzyl-N-propan-2-ylacetamide
CID 16994989
N-benzyl-2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide
CID 31202683
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113159086
N-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide
CID 20873125
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide (CID 8891296) is N-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide is Cc1nn(CC(=O)N(Cc2ccccc2)C(C)C)c(C)c1S(=O)(=O)N(C)C.
What is the InChIKey of N-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is WHJLZENKWJFECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-14(2)22(12-17-10-8-7-9-11-17)18(24)13-23-16(4)19(15(3)20-23)27(25,26)21(5)6/h7-11,14H,12-13H2,1-6H3.
What are the key properties of N-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide?
N-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 392.53 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 8891296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).