2-(2-ethylsulfonylanilino)-N-methylpropanamide

C12H18N2O3S — CID 54950934

IUPAC2-(2-ethylsulfonylanilino)-N-methylpropanamide
SMILESCCS(=O)(=O)c1ccccc1NC(C)C(=O)NC
InChIInChI=1S/C12H18N2O3S/c1-4-18(16,17)11-8-6-5-7-10(11)14-9(2)12(15)13-3/h5-9,14H,4H2,1-3H3,(H,13,15)
InChIKeyXVQRFHAKIOEWHK-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.03
Rot. Bonds5

About 2-(2-ethylsulfonylanilino)-N-methylpropanamide

2-(2-ethylsulfonylanilino)-N-methylpropanamide (PubChem CID 54950934) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(2-ethylsulfonylanilino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-ethylsulfonylanilino)-N-methylpropanamide
PubChem CID54950934
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(2-ethylsulfonylanilino)-N-methylpropanamide
SMILESCCS(=O)(=O)c1ccccc1NC(C)C(=O)NC
InChIInChI=1S/C12H18N2O3S/c1-4-18(16,17)11-8-6-5-7-10(11)14-9(2)12(15)13-3/h5-9,14H,4H2,1-3H3,(H,13,15)
InChIKeyXVQRFHAKIOEWHK-UHFFFAOYSA-N
XLogP1.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline
CID 43453587
2-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoic acid
CID 62231703
3-(2-ethylsulfonylanilino)-2-methyl-3-oxopropanoic acid
CID 114898053
2-(2-ethoxyanilino)-N-methylpropanamide
CID 43085473
2-(2-benzylanilino)-N-methylpropanamide
CID 43085479
methyl 2-(2-ethylsulfonylanilino)butanoate
CID 115352923
2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide
CID 61479924
2-[2-(dimethylamino)anilino]-N-methylpropanamide
CID 106759655
2-bromo-N-(2-ethylsulfonylphenyl)butanamide
CID 62856138
2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43738209
2-ethylsulfonyl-N-(4-methylpentyl)aniline
CID 54913636
2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol
CID 106186517

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylanilino)-N-methylpropanamide?
The IUPAC name of 2-(2-ethylsulfonylanilino)-N-methylpropanamide (CID 54950934) is 2-(2-ethylsulfonylanilino)-N-methylpropanamide.
What is the SMILES notation for 2-(2-ethylsulfonylanilino)-N-methylpropanamide?
The canonical SMILES for 2-(2-ethylsulfonylanilino)-N-methylpropanamide is CCS(=O)(=O)c1ccccc1NC(C)C(=O)NC.
What is the InChIKey of 2-(2-ethylsulfonylanilino)-N-methylpropanamide?
The InChIKey is XVQRFHAKIOEWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-18(16,17)11-8-6-5-7-10(11)14-9(2)12(15)13-3/h5-9,14H,4H2,1-3H3,(H,13,15).
What are the key properties of 2-(2-ethylsulfonylanilino)-N-methylpropanamide?
2-(2-ethylsulfonylanilino)-N-methylpropanamide has a molecular weight of 270.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylanilino)-N-methylpropanamide is sourced from PubChem (CID 54950934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).