ethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate

C14H21NO4S — CID 62007156

IUPACethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate
SMILESCCOC(=O)CCN(C)c1ccccc1S(=O)(=O)CC
InChIInChI=1S/C14H21NO4S/c1-4-19-14(16)10-11-15(3)12-8-6-7-9-13(12)20(17,18)5-2/h6-9H,4-5,10-11H2,1-3H3
InChIKeyFXYGSIOGZVXFOZ-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.87
Rot. Bonds7

About ethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate

ethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate (PubChem CID 62007156) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is ethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate
PubChem CID62007156
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Nameethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate
SMILESCCOC(=O)CCN(C)c1ccccc1S(=O)(=O)CC
InChIInChI=1S/C14H21NO4S/c1-4-19-14(16)10-11-15(3)12-8-6-7-9-13(12)20(17,18)5-2/h6-9H,4-5,10-11H2,1-3H3
InChIKeyFXYGSIOGZVXFOZ-UHFFFAOYSA-N
XLogP1.87
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate
CID 62007157
2-(2-ethylsulfonyl-N-methylanilino)acetic acid
CID 43453508
5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol
CID 107203413
methyl 3-(N-ethyl-2-ethylsulfonylanilino)propanoate
CID 62004581
ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
CID 62007153
3-[2-(ethylsulfamoyl)-N-methylanilino]propanoic acid
CID 55025594
ethyl 2-(N-propyl-2-sulfamoylanilino)acetate
CID 62007209
ethyl 2-(2-methylphenyl)sulfonylacetate
CID 60891426
ethyl 3-(4-acetyl-N-methylanilino)propanoate
CID 62004461
hydrazinyl 3-(2-fluoro-N-methylanilino)propanoate
CID 66336754
ethyl 3-[2-(trifluoromethyl)phenyl]sulfonylpropanoate
CID 106584509
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate?
The IUPAC name of ethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate (CID 62007156) is ethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate.
What is the SMILES notation for ethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate?
The canonical SMILES for ethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate is CCOC(=O)CCN(C)c1ccccc1S(=O)(=O)CC.
What is the InChIKey of ethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate?
The InChIKey is FXYGSIOGZVXFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-4-19-14(16)10-11-15(3)12-8-6-7-9-13(12)20(17,18)5-2/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of ethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate?
ethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate has a molecular weight of 299.39 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate is sourced from PubChem (CID 62007156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).