2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide

C17H30N4O3S — CID 8899831

IUPAC2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCc1nn(CC(=O)N(C)C2CCC(C)CC2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C17H30N4O3S/c1-12-7-9-15(10-8-12)20(6)16(22)11-21-14(3)17(13(2)18-21)25(23,24)19(4)5/h12,15H,7-11H2,1-6H3
InChIKeyQYFLPYDWMDBORY-UHFFFAOYSA-N
MW370.52 g/mol
LogP1.79
Rot. Bonds5

About 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide

2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 8899831) has the molecular formula C17H30N4O3S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID8899831
Molecular FormulaC17H30N4O3S
Molecular Weight370.52 g/mol
Exact Mass370.20
IUPAC Name2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCc1nn(CC(=O)N(C)C2CCC(C)CC2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C17H30N4O3S/c1-12-7-9-15(10-8-12)20(6)16(22)11-21-14(3)17(13(2)18-21)25(23,24)19(4)5/h12,15H,7-11H2,1-6H3
InChIKeyQYFLPYDWMDBORY-UHFFFAOYSA-N
XLogP1.79
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 8899831) is 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide is Cc1nn(CC(=O)N(C)C2CCC(C)CC2)c(C)c1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is QYFLPYDWMDBORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3S/c1-12-7-9-15(10-8-12)20(6)16(22)11-21-14(3)17(13(2)18-21)25(23,24)19(4)5/h12,15H,7-11H2,1-6H3.
What are the key properties of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 370.52 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 8899831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).