2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide

C21H28N2O3S — CID 113154252

IUPAC2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide
SMILESCCc1cccc(C)c1N(CC(=O)NCCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-4-19-14-8-10-17(2)21(19)23(27(3,25)26)16-20(24)22-15-9-13-18-11-6-5-7-12-18/h5-8,10-12,14H,4,9,13,15-16H2,1-3H3,(H,22,24)
InChIKeyZVPLNEVHVSDBHW-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.07
Rot. Bonds9

About 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide

2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide (PubChem CID 113154252) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide
PubChem CID113154252
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide
SMILESCCc1cccc(C)c1N(CC(=O)NCCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-4-19-14-8-10-17(2)21(19)23(27(3,25)26)16-20(24)22-15-9-13-18-11-6-5-7-12-18/h5-8,10-12,14H,4,9,13,15-16H2,1-3H3,(H,22,24)
InChIKeyZVPLNEVHVSDBHW-UHFFFAOYSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide
CID 113154007
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 113150542
2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30219314
2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113154221
N-cyclopropyl-2-(2-ethyl-6-methyl-N-methylsulfonylanilino)acetamide
CID 113154205
2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide
CID 113147718
2-(4-ethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 113154154
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069288
N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 27255894
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30223677
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069299
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 100717418

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide (CID 113154252) is 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide is CCc1cccc(C)c1N(CC(=O)NCCCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide?
The InChIKey is ZVPLNEVHVSDBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-19-14-8-10-17(2)21(19)23(27(3,25)26)16-20(24)22-15-9-13-18-11-6-5-7-12-18/h5-8,10-12,14H,4,9,13,15-16H2,1-3H3,(H,22,24).
What are the key properties of 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide?
2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide has a molecular weight of 388.53 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 113154252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).