2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide

C14H22N2O3S — CID 2271321

IUPAC2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
SMILESCc1ccc(N(CC(=O)NC(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C14H22N2O3S/c1-10(2)15-14(17)9-16(20(5,18)19)13-7-6-11(3)8-12(13)4/h6-8,10H,9H2,1-5H3,(H,15,17)
InChIKeyGVVUFGUAPPAKOB-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.59
Rot. Bonds5

About 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide

2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide (PubChem CID 2271321) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
PubChem CID2271321
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
SMILESCc1ccc(N(CC(=O)NC(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C14H22N2O3S/c1-10(2)15-14(17)9-16(20(5,18)19)13-7-6-11(3)8-12(13)4/h6-8,10H,9H2,1-5H3,(H,15,17)
InChIKeyGVVUFGUAPPAKOB-UHFFFAOYSA-N
XLogP1.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43891593
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 125084919
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 44828236
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43907307
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 43895242
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 30168671
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 46770349
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100563133
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1322609
N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153846
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 998752

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide (CID 2271321) is 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide is Cc1ccc(N(CC(=O)NC(C)C)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide?
The InChIKey is GVVUFGUAPPAKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10(2)15-14(17)9-16(20(5,18)19)13-7-6-11(3)8-12(13)4/h6-8,10H,9H2,1-5H3,(H,15,17).
What are the key properties of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide?
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide has a molecular weight of 298.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 2271321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).