2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide

C19H24N2O3S — CID 1316073

IUPAC2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-5-16-10-6-7-11-17(16)20-19(22)13-21(25(4,23)24)18-12-8-9-14(2)15(18)3/h6-12H,5,13H2,1-4H3,(H,20,22)
InChIKeyMVEDVGGXLUHRQC-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.27
Rot. Bonds6

About 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide

2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide (PubChem CID 1316073) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
PubChem CID1316073
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-5-16-10-6-7-11-17(16)20-19(22)13-21(25(4,23)24)18-12-8-9-14(2)15(18)3/h6-12H,5,13H2,1-4H3,(H,20,22)
InChIKeyMVEDVGGXLUHRQC-UHFFFAOYSA-N
XLogP3.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-DI(O-Tolyl)oxamide
CID 223396
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)methanesulfonamide
CID 815970
N-(2,5-Dimethyl-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 846479
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 846944
2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 848402
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 848403
N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-N-(4-methylphenyl)methanesulfonamide
CID 1000778
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
N-(2,3-dimethylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 1081280
N-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-isopropyl-phenyl)-methanesulfonamide
CID 1135728
2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 1315348
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2442182

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide (CID 1316073) is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O.
What is the InChIKey of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide?
The InChIKey is MVEDVGGXLUHRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-5-16-10-6-7-11-17(16)20-19(22)13-21(25(4,23)24)18-12-8-9-14(2)15(18)3/h6-12H,5,13H2,1-4H3,(H,20,22).
What are the key properties of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide?
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 1316073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).