N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide

C15H24N2O3S — CID 43891593

IUPACN-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCCC(C)NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-6-13(4)16-15(18)10-17(21(5,19)20)14-8-7-11(2)9-12(14)3/h7-9,13H,6,10H2,1-5H3,(H,16,18)
InChIKeyFCMHMTNLUFKZRH-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.98
Rot. Bonds6

About N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide

N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 43891593) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID43891593
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCCC(C)NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-6-13(4)16-15(18)10-17(21(5,19)20)14-8-7-11(2)9-12(14)3/h7-9,13H,6,10H2,1-5H3,(H,16,18)
InChIKeyFCMHMTNLUFKZRH-UHFFFAOYSA-N
XLogP1.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 2271321
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
N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 3800769
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
N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 2889765
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 46770349
N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153846
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 30168671
N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281939
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100563133

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide (CID 43891593) is N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide is CCC(C)NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is FCMHMTNLUFKZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-6-13(4)16-15(18)10-17(21(5,19)20)14-8-7-11(2)9-12(14)3/h7-9,13H,6,10H2,1-5H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 312.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 43891593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).