methyl 2-[4-(ethoxysulfinylamino)phenoxy]propanoate

C12H17NO5S — CID 20700825

IUPACmethyl 2-[4-(ethoxysulfinylamino)phenoxy]propanoate
SMILESCCOS(=O)Nc1ccc(OC(C)C(=O)OC)cc1
InChIInChI=1S/C12H17NO5S/c1-4-17-19(15)13-10-5-7-11(8-6-10)18-9(2)12(14)16-3/h5-9,13H,4H2,1-3H3
InChIKeySNGJRMLVMJGFKQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.65
Rot. Bonds7

About methyl 2-[4-(ethoxysulfinylamino)phenoxy]propanoate

methyl 2-[4-(ethoxysulfinylamino)phenoxy]propanoate (PubChem CID 20700825) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl 2-[4-(ethoxysulfinylamino)phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(ethoxysulfinylamino)phenoxy]propanoate
PubChem CID20700825
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Namemethyl 2-[4-(ethoxysulfinylamino)phenoxy]propanoate
SMILESCCOS(=O)Nc1ccc(OC(C)C(=O)OC)cc1
InChIInChI=1S/C12H17NO5S/c1-4-17-19(15)13-10-5-7-11(8-6-10)18-9(2)12(14)16-3/h5-9,13H,4H2,1-3H3
InChIKeySNGJRMLVMJGFKQ-UHFFFAOYSA-N
XLogP1.65
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[4-(cyanomethyl)phenoxy]propanoate
CID 103337710
methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate
CID 103337931
methyl 2-[4-(4-chloroanilino)phenoxy]propanoate
CID 13083957
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 107708333
CID 59993707
CID 59993707
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8855250
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
CID 3663936

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(ethoxysulfinylamino)phenoxy]propanoate?
The IUPAC name of methyl 2-[4-(ethoxysulfinylamino)phenoxy]propanoate (CID 20700825) is methyl 2-[4-(ethoxysulfinylamino)phenoxy]propanoate.
What is the SMILES notation for methyl 2-[4-(ethoxysulfinylamino)phenoxy]propanoate?
The canonical SMILES for methyl 2-[4-(ethoxysulfinylamino)phenoxy]propanoate is CCOS(=O)Nc1ccc(OC(C)C(=O)OC)cc1.
What is the InChIKey of methyl 2-[4-(ethoxysulfinylamino)phenoxy]propanoate?
The InChIKey is SNGJRMLVMJGFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-4-17-19(15)13-10-5-7-11(8-6-10)18-9(2)12(14)16-3/h5-9,13H,4H2,1-3H3.
What are the key properties of methyl 2-[4-(ethoxysulfinylamino)phenoxy]propanoate?
methyl 2-[4-(ethoxysulfinylamino)phenoxy]propanoate has a molecular weight of 287.34 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(ethoxysulfinylamino)phenoxy]propanoate is sourced from PubChem (CID 20700825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).