N-(2,6-dimethylphenyl)-2-[(S)-methylsulfinyl]-N-(pyrazol-1-ylmethyl)acetamide

C15H19N3O2S — CID 95705929

IUPACN-(2,6-dimethylphenyl)-2-[(S)-methylsulfinyl]-N-(pyrazol-1-ylmethyl)acetamide
SMILESCc1cccc(C)c1N(Cn1cccn1)C(=O)C[S@](C)=O
InChIInChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3/t21-/m0/s1
InChIKeyGFGYMDAFJMPNCC-NRFANRHFSA-N
MW305.40 g/mol
LogP1.87
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-[(S)-methylsulfinyl]-N-(pyrazol-1-ylmethyl)acetamide

N-(2,6-dimethylphenyl)-2-[(S)-methylsulfinyl]-N-(pyrazol-1-ylmethyl)acetamide (PubChem CID 95705929) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(S)-methylsulfinyl]-N-(pyrazol-1-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(S)-methylsulfinyl]-N-(pyrazol-1-ylmethyl)acetamide
PubChem CID95705929
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(2,6-dimethylphenyl)-2-[(S)-methylsulfinyl]-N-(pyrazol-1-ylmethyl)acetamide
SMILESCc1cccc(C)c1N(Cn1cccn1)C(=O)C[S@](C)=O
InChIInChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3/t21-/m0/s1
InChIKeyGFGYMDAFJMPNCC-NRFANRHFSA-N
XLogP1.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(S)-methylsulfinyl]-N-(pyrazol-1-ylmethyl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(S)-methylsulfinyl]-N-(pyrazol-1-ylmethyl)acetamide (CID 95705929) is N-(2,6-dimethylphenyl)-2-[(S)-methylsulfinyl]-N-(pyrazol-1-ylmethyl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(S)-methylsulfinyl]-N-(pyrazol-1-ylmethyl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(S)-methylsulfinyl]-N-(pyrazol-1-ylmethyl)acetamide is Cc1cccc(C)c1N(Cn1cccn1)C(=O)C[S@](C)=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(S)-methylsulfinyl]-N-(pyrazol-1-ylmethyl)acetamide?
The InChIKey is GFGYMDAFJMPNCC-NRFANRHFSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3/t21-/m0/s1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[(S)-methylsulfinyl]-N-(pyrazol-1-ylmethyl)acetamide?
N-(2,6-dimethylphenyl)-2-[(S)-methylsulfinyl]-N-(pyrazol-1-ylmethyl)acetamide has a molecular weight of 305.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(S)-methylsulfinyl]-N-(pyrazol-1-ylmethyl)acetamide is sourced from PubChem (CID 95705929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).