2-[2-methyl-4-(2-methylpropyl)phenyl]-N-methylsulfonylacetamide

C14H21NO3S — CID 10356476

IUPAC2-[2-methyl-4-(2-methylpropyl)phenyl]-N-methylsulfonylacetamide
SMILESCc1cc(CC(C)C)ccc1CC(=O)NS(C)(=O)=O
InChIInChI=1S/C14H21NO3S/c1-10(2)7-12-5-6-13(11(3)8-12)9-14(16)15-19(4,17)18/h5-6,8,10H,7,9H2,1-4H3,(H,15,16)
InChIKeyCQCGNEYZEKXMOP-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.81
Rot. Bonds5

About 2-[2-methyl-4-(2-methylpropyl)phenyl]-N-methylsulfonylacetamide

2-[2-methyl-4-(2-methylpropyl)phenyl]-N-methylsulfonylacetamide (PubChem CID 10356476) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-[2-methyl-4-(2-methylpropyl)phenyl]-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(2-methylpropyl)phenyl]-N-methylsulfonylacetamide
PubChem CID10356476
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-[2-methyl-4-(2-methylpropyl)phenyl]-N-methylsulfonylacetamide
SMILESCc1cc(CC(C)C)ccc1CC(=O)NS(C)(=O)=O
InChIInChI=1S/C14H21NO3S/c1-10(2)7-12-5-6-13(11(3)8-12)9-14(16)15-19(4,17)18/h5-6,8,10H,7,9H2,1-4H3,(H,15,16)
InChIKeyCQCGNEYZEKXMOP-UHFFFAOYSA-N
XLogP1.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(2-methylpropyl)phenyl]-N-methylsulfonylacetamide?
The IUPAC name of 2-[2-methyl-4-(2-methylpropyl)phenyl]-N-methylsulfonylacetamide (CID 10356476) is 2-[2-methyl-4-(2-methylpropyl)phenyl]-N-methylsulfonylacetamide.
What is the SMILES notation for 2-[2-methyl-4-(2-methylpropyl)phenyl]-N-methylsulfonylacetamide?
The canonical SMILES for 2-[2-methyl-4-(2-methylpropyl)phenyl]-N-methylsulfonylacetamide is Cc1cc(CC(C)C)ccc1CC(=O)NS(C)(=O)=O.
What is the InChIKey of 2-[2-methyl-4-(2-methylpropyl)phenyl]-N-methylsulfonylacetamide?
The InChIKey is CQCGNEYZEKXMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10(2)7-12-5-6-13(11(3)8-12)9-14(16)15-19(4,17)18/h5-6,8,10H,7,9H2,1-4H3,(H,15,16).
What are the key properties of 2-[2-methyl-4-(2-methylpropyl)phenyl]-N-methylsulfonylacetamide?
2-[2-methyl-4-(2-methylpropyl)phenyl]-N-methylsulfonylacetamide has a molecular weight of 283.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(2-methylpropyl)phenyl]-N-methylsulfonylacetamide is sourced from PubChem (CID 10356476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).