3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide

C21H28N2O3S — CID 113143230

IUPAC3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
SMILESCCc1cccc(CC)c1N(CCC(=O)Nc1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-5-17-11-9-12-18(6-2)21(17)23(27(4,25)26)15-14-20(24)22-19-13-8-7-10-16(19)3/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)
InChIKeyMSPAZASNXQPDLC-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.91
Rot. Bonds8

About 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide

3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide (PubChem CID 113143230) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
PubChem CID113143230
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
SMILESCCc1cccc(CC)c1N(CCC(=O)Nc1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-5-17-11-9-12-18(6-2)21(17)23(27(4,25)26)15-14-20(24)22-19-13-8-7-10-16(19)3/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)
InChIKeyMSPAZASNXQPDLC-UHFFFAOYSA-N
XLogP3.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide
CID 113142957
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113142511
3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113143240
N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138799
3-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113142916
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113144144
2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113154437
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069515
N-(2-ethylphenyl)-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide
CID 113143022
N-cyclohexyl-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide
CID 113142895
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113147158
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide (CID 113143230) is 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide is CCc1cccc(CC)c1N(CCC(=O)Nc1ccccc1C)S(C)(=O)=O.
What is the InChIKey of 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
The InChIKey is MSPAZASNXQPDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-17-11-9-12-18(6-2)21(17)23(27(4,25)26)15-14-20(24)22-19-13-8-7-10-16(19)3/h7-13H,5-6,14-15H2,1-4H3,(H,22,24).
What are the key properties of 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide has a molecular weight of 388.53 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 113143230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).