N-(2,6-dimethylphenyl)-2-methylsulfonyl-N-(pyrazol-1-ylmethyl)acetamide

C15H19N3O3S — CID 139596753

IUPACN-(2,6-dimethylphenyl)-2-methylsulfonyl-N-(pyrazol-1-ylmethyl)acetamide
SMILESCc1cccc(C)c1N(Cn1cccn1)C(=O)CS(C)(=O)=O
InChIInChI=1S/C15H19N3O3S/c1-12-6-4-7-13(2)15(12)18(11-17-9-5-8-16-17)14(19)10-22(3,20)21/h4-9H,10-11H2,1-3H3
InChIKeyQHBZOJGSBYTFEB-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.54
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-methylsulfonyl-N-(pyrazol-1-ylmethyl)acetamide

N-(2,6-dimethylphenyl)-2-methylsulfonyl-N-(pyrazol-1-ylmethyl)acetamide (PubChem CID 139596753) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-methylsulfonyl-N-(pyrazol-1-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-methylsulfonyl-N-(pyrazol-1-ylmethyl)acetamide
PubChem CID139596753
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(2,6-dimethylphenyl)-2-methylsulfonyl-N-(pyrazol-1-ylmethyl)acetamide
SMILESCc1cccc(C)c1N(Cn1cccn1)C(=O)CS(C)(=O)=O
InChIInChI=1S/C15H19N3O3S/c1-12-6-4-7-13(2)15(12)18(11-17-9-5-8-16-17)14(19)10-22(3,20)21/h4-9H,10-11H2,1-3H3
InChIKeyQHBZOJGSBYTFEB-UHFFFAOYSA-N
XLogP1.54
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-methylsulfonyl-N-(pyrazol-1-ylmethyl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-methylsulfonyl-N-(pyrazol-1-ylmethyl)acetamide (CID 139596753) is N-(2,6-dimethylphenyl)-2-methylsulfonyl-N-(pyrazol-1-ylmethyl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-methylsulfonyl-N-(pyrazol-1-ylmethyl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-methylsulfonyl-N-(pyrazol-1-ylmethyl)acetamide is Cc1cccc(C)c1N(Cn1cccn1)C(=O)CS(C)(=O)=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-methylsulfonyl-N-(pyrazol-1-ylmethyl)acetamide?
The InChIKey is QHBZOJGSBYTFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-12-6-4-7-13(2)15(12)18(11-17-9-5-8-16-17)14(19)10-22(3,20)21/h4-9H,10-11H2,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-2-methylsulfonyl-N-(pyrazol-1-ylmethyl)acetamide?
N-(2,6-dimethylphenyl)-2-methylsulfonyl-N-(pyrazol-1-ylmethyl)acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-methylsulfonyl-N-(pyrazol-1-ylmethyl)acetamide is sourced from PubChem (CID 139596753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).