2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide

C21H28N2O3S — CID 113154437

IUPAC2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
SMILESCCc1cccc(CC)c1N(CC(=O)Nc1ccc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-6-17-9-8-10-18(7-2)21(17)23(27(5,25)26)14-20(24)22-19-12-11-15(3)13-16(19)4/h8-13H,6-7,14H2,1-5H3,(H,22,24)
InChIKeyNSMGMFUJLMNYES-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.83
Rot. Bonds7

About 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide

2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide (PubChem CID 113154437) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
PubChem CID113154437
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
SMILESCCc1cccc(CC)c1N(CC(=O)Nc1ccc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-6-17-9-8-10-18(7-2)21(17)23(27(5,25)26)14-20(24)22-19-12-11-15(3)13-16(19)4/h8-13H,6-7,14H2,1-5H3,(H,22,24)
InChIKeyNSMGMFUJLMNYES-UHFFFAOYSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 51343025
N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153846
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113155566
2-(2-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51343170
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1102314
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113142511
N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1320489
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide
CID 113154456
3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113143230
N-naphthalen-1-yl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30259474
N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30275463

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide (CID 113154437) is 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide is CCc1cccc(CC)c1N(CC(=O)Nc1ccc(C)cc1C)S(C)(=O)=O.
What is the InChIKey of 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is NSMGMFUJLMNYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-6-17-9-8-10-18(7-2)21(17)23(27(5,25)26)14-20(24)22-19-12-11-15(3)13-16(19)4/h8-13H,6-7,14H2,1-5H3,(H,22,24).
What are the key properties of 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide?
2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 388.53 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 113154437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).