2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide

C23H32N2O3S — CID 43895242

IUPAC2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
SMILESCc1ccc(N(CC(=O)NC(C)CC(C)(C)c2ccccc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C23H32N2O3S/c1-17-12-13-21(18(2)14-17)25(29(6,27)28)16-22(26)24-19(3)15-23(4,5)20-10-8-7-9-11-20/h7-14,19H,15-16H2,1-6H3,(H,24,26)
InChIKeyXMRAZKJUQRACHY-UHFFFAOYSA-N
MW416.59 g/mol
LogP3.94
Rot. Bonds8

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

2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide (PubChem CID 43895242) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
PubChem CID43895242
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC Name2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
SMILESCc1ccc(N(CC(=O)NC(C)CC(C)(C)c2ccccc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C23H32N2O3S/c1-17-12-13-21(18(2)14-17)25(29(6,27)28)16-22(26)24-19(3)15-23(4,5)20-10-8-7-9-11-20/h7-14,19H,15-16H2,1-6H3,(H,24,26)
InChIKeyXMRAZKJUQRACHY-UHFFFAOYSA-N
XLogP3.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-4-phenylpentan-2-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 43901431
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 44828236
N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43891593
N-(4-methyl-4-phenylpentan-2-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 43896244
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 2271321
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 43895699
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 30168671
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 43899102
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 125084919
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 43894010
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43907307

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide (CID 43895242) is 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide is Cc1ccc(N(CC(=O)NC(C)CC(C)(C)c2ccccc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide?
The InChIKey is XMRAZKJUQRACHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-17-12-13-21(18(2)14-17)25(29(6,27)28)16-22(26)24-19(3)15-23(4,5)20-10-8-7-9-11-20/h7-14,19H,15-16H2,1-6H3,(H,24,26).
What are the key properties of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide?
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide has a molecular weight of 416.59 g/mol, XLogP of 3.94, 8 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-(4-methyl-4-phenylpentan-2-yl)acetamide is sourced from PubChem (CID 43895242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).