ethyl 2-(N-ethyl-4-ethylsulfinylanilino)acetate

C14H21NO3S — CID 134176388

IUPACethyl 2-(N-ethyl-4-ethylsulfinylanilino)acetate
SMILESCCOC(=O)CN(CC)c1ccc(S(=O)CC)cc1
InChIInChI=1S/C14H21NO3S/c1-4-15(11-14(16)18-5-2)12-7-9-13(10-8-12)19(17)6-3/h7-10H,4-6,11H2,1-3H3
InChIKeyYEHCZWQZDPCWIP-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.20
Rot. Bonds7

About ethyl 2-(N-ethyl-4-ethylsulfinylanilino)acetate

ethyl 2-(N-ethyl-4-ethylsulfinylanilino)acetate (PubChem CID 134176388) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is ethyl 2-(N-ethyl-4-ethylsulfinylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-ethyl-4-ethylsulfinylanilino)acetate
PubChem CID134176388
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Nameethyl 2-(N-ethyl-4-ethylsulfinylanilino)acetate
SMILESCCOC(=O)CN(CC)c1ccc(S(=O)CC)cc1
InChIInChI=1S/C14H21NO3S/c1-4-15(11-14(16)18-5-2)12-7-9-13(10-8-12)19(17)6-3/h7-10H,4-6,11H2,1-3H3
InChIKeyYEHCZWQZDPCWIP-UHFFFAOYSA-N
XLogP2.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-amino-N-ethylanilino)acetate
CID 63233621
ethyl 2-(N-ethyl-4-sulfamoylanilino)acetate
CID 62006834
ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate
CID 11709102
ethyl 2-(N-ethyl-4-propylsulfonylanilino)acetate
CID 62006448
ethyl 2-(4-carbamothioyl-N-ethyl-3-methylanilino)acetate
CID 81276651
ethyl 2-(2-amino-N-ethylanilino)acetate
CID 62102481
ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate
CID 114051236
ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate
CID 62006262
4-(diethylamino)benzenesulfinic acid
CID 68861817
ethyl 2-[propyl(pyridin-4-yl)amino]acetate
CID 62006270
ethyl 2-[(2-carbamothioyl-4-pyridinyl)-ethylamino]acetate
CID 62925746
N,N-diethyl-4-(2-methylpropylsulfinyl)aniline
CID 53343812

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-ethyl-4-ethylsulfinylanilino)acetate?
The IUPAC name of ethyl 2-(N-ethyl-4-ethylsulfinylanilino)acetate (CID 134176388) is ethyl 2-(N-ethyl-4-ethylsulfinylanilino)acetate.
What is the SMILES notation for ethyl 2-(N-ethyl-4-ethylsulfinylanilino)acetate?
The canonical SMILES for ethyl 2-(N-ethyl-4-ethylsulfinylanilino)acetate is CCOC(=O)CN(CC)c1ccc(S(=O)CC)cc1.
What is the InChIKey of ethyl 2-(N-ethyl-4-ethylsulfinylanilino)acetate?
The InChIKey is YEHCZWQZDPCWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-15(11-14(16)18-5-2)12-7-9-13(10-8-12)19(17)6-3/h7-10H,4-6,11H2,1-3H3.
What are the key properties of ethyl 2-(N-ethyl-4-ethylsulfinylanilino)acetate?
ethyl 2-(N-ethyl-4-ethylsulfinylanilino)acetate has a molecular weight of 283.39 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-ethyl-4-ethylsulfinylanilino)acetate is sourced from PubChem (CID 134176388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).