2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C12H18N2O3S — CID 893790

IUPAC2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(N)=O)c(C)c1
InChIInChI=1S/C12H18N2O3S/c1-8-5-9(2)12(10(3)6-8)18(16,17)14(4)7-11(13)15/h5-6H,7H2,1-4H3,(H2,13,15)
InChIKeyFXZVFOOXRWYZPN-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.72
Rot. Bonds4

About 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 893790) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID893790
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(N)=O)c(C)c1
InChIInChI=1S/C12H18N2O3S/c1-8-5-9(2)12(10(3)6-8)18(16,17)14(4)7-11(13)15/h5-6H,7H2,1-4H3,(H2,13,15)
InChIKeyFXZVFOOXRWYZPN-UHFFFAOYSA-N
XLogP0.72
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 893790) is 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1cc(C)c(S(=O)(=O)N(C)CC(N)=O)c(C)c1.
What is the InChIKey of 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is FXZVFOOXRWYZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8-5-9(2)12(10(3)6-8)18(16,17)14(4)7-11(13)15/h5-6H,7H2,1-4H3,(H2,13,15).
What are the key properties of 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 270.35 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 893790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).