ethyl 2-[2-[2-(4-ethylphenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate

C17H22N2O5S2 — CID 56764892

IUPACethyl 2-[2-[2-(4-ethylphenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)CCOc2ccc(CC)cc2)n1
InChIInChI=1S/C17H22N2O5S2/c1-3-13-5-7-15(8-6-13)24-9-10-26(21,22)19-17-18-14(12-25-17)11-16(20)23-4-2/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyAEFWDIIBDOJMHM-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.63
Rot. Bonds10

About ethyl 2-[2-[2-(4-ethylphenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[2-(4-ethylphenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 56764892) has the molecular formula C17H22N2O5S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is ethyl 2-[2-[2-(4-ethylphenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(4-ethylphenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID56764892
Molecular FormulaC17H22N2O5S2
Molecular Weight398.51 g/mol
Exact Mass398.10
IUPAC Nameethyl 2-[2-[2-(4-ethylphenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)CCOc2ccc(CC)cc2)n1
InChIInChI=1S/C17H22N2O5S2/c1-3-13-5-7-15(8-6-13)24-9-10-26(21,22)19-17-18-14(12-25-17)11-16(20)23-4-2/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyAEFWDIIBDOJMHM-UHFFFAOYSA-N
XLogP2.63
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(4-ethylphenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-(4-ethylphenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate (CID 56764892) is ethyl 2-[2-[2-(4-ethylphenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-(4-ethylphenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-(4-ethylphenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)CCOc2ccc(CC)cc2)n1.
What is the InChIKey of ethyl 2-[2-[2-(4-ethylphenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is AEFWDIIBDOJMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S2/c1-3-13-5-7-15(8-6-13)24-9-10-26(21,22)19-17-18-14(12-25-17)11-16(20)23-4-2/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19).
What are the key properties of ethyl 2-[2-[2-(4-ethylphenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-(4-ethylphenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 398.51 g/mol, XLogP of 2.63, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(4-ethylphenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 56764892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).