3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide

C19H22F2N2O3S — CID 113146418

IUPAC3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN(c1ccc(F)cc1F)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C19H22F2N2O3S/c1-4-22(16-7-5-6-14(2)12-16)19(24)10-11-23(27(3,25)26)18-9-8-15(20)13-17(18)21/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyGNNSWUXHEPABOF-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.48
Rot. Bonds7

About 3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide

3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide (PubChem CID 113146418) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is 3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
PubChem CID113146418
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC Name3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN(c1ccc(F)cc1F)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C19H22F2N2O3S/c1-4-22(16-7-5-6-14(2)12-16)19(24)10-11-23(27(3,25)26)18-9-8-15(20)13-17(18)21/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyGNNSWUXHEPABOF-UHFFFAOYSA-N
XLogP3.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-2-(2-ethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 113154140
N-ethyl-N-(3-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153695
N-ethyl-3-(2-methoxy-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113144524
3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113137357
N-ethyl-2-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 113155154
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138845
N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 113154382
3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113124282
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
3-(N-ethyl-3-methylanilino)-3-oxopropane-1-sulfonyl chloride
CID 98489365

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide (CID 113146418) is 3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide is CCN(C(=O)CCN(c1ccc(F)cc1F)S(C)(=O)=O)c1cccc(C)c1.
What is the InChIKey of 3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The InChIKey is GNNSWUXHEPABOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-4-22(16-7-5-6-14(2)12-16)19(24)10-11-23(27(3,25)26)18-9-8-15(20)13-17(18)21/h5-9,12-13H,4,10-11H2,1-3H3.
What are the key properties of 3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide has a molecular weight of 396.46 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 113146418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).