methyl 2-acetamido-3-[2-ethoxy-1-(4-methoxyphenyl)-2-oxoethyl]sulfanylpropanoate

C17H23NO6S — CID 175023703

IUPACmethyl 2-acetamido-3-[2-ethoxy-1-(4-methoxyphenyl)-2-oxoethyl]sulfanylpropanoate
SMILESCCOC(=O)C(SCC(NC(C)=O)C(=O)OC)c1ccc(OC)cc1
InChIInChI=1S/C17H23NO6S/c1-5-24-17(21)15(12-6-8-13(22-3)9-7-12)25-10-14(16(20)23-4)18-11(2)19/h6-9,14-15H,5,10H2,1-4H3,(H,18,19)
InChIKeyJPIGYDANJQJNLM-UHFFFAOYSA-N
MW369.44 g/mol
LogP1.71
Rot. Bonds9

About methyl 2-acetamido-3-[2-ethoxy-1-(4-methoxyphenyl)-2-oxoethyl]sulfanylpropanoate

methyl 2-acetamido-3-[2-ethoxy-1-(4-methoxyphenyl)-2-oxoethyl]sulfanylpropanoate (PubChem CID 175023703) has the molecular formula C17H23NO6S and a molecular weight of 369.44 g/mol. Its IUPAC name is methyl 2-acetamido-3-[2-ethoxy-1-(4-methoxyphenyl)-2-oxoethyl]sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[2-ethoxy-1-(4-methoxyphenyl)-2-oxoethyl]sulfanylpropanoate
PubChem CID175023703
Molecular FormulaC17H23NO6S
Molecular Weight369.44 g/mol
Exact Mass369.12
IUPAC Namemethyl 2-acetamido-3-[2-ethoxy-1-(4-methoxyphenyl)-2-oxoethyl]sulfanylpropanoate
SMILESCCOC(=O)C(SCC(NC(C)=O)C(=O)OC)c1ccc(OC)cc1
InChIInChI=1S/C17H23NO6S/c1-5-24-17(21)15(12-6-8-13(22-3)9-7-12)25-10-14(16(20)23-4)18-11(2)19/h6-9,14-15H,5,10H2,1-4H3,(H,18,19)
InChIKeyJPIGYDANJQJNLM-UHFFFAOYSA-N
XLogP1.71
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate
CID 162356013
N-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 878876
N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 878875
methyl (2R)-2-acetamido-3-[2-(6-methoxynaphthalen-2-yl)propanoylsulfanyl]propanoate
CID 59487585
methyl 2-acetamido-3-propan-2-ylsulfanylpropanoate
CID 58759760
methyl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate
CID 6950955
2-acetamido-3-[2-hydroxy-1-(4-methoxyphenyl)propyl]sulfanylpropanoic acid
CID 86273290
ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate
CID 129382572
methyl (2R)-2-acetamido-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate
CID 25014751
methyl 2-acetamido-4-(4-methoxyphenoxy)butanoate
CID 102432999
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-[2-ethoxy-1-(4-methoxyphenyl)-2-oxoethyl]sulfanylpropanoate?
The IUPAC name of methyl 2-acetamido-3-[2-ethoxy-1-(4-methoxyphenyl)-2-oxoethyl]sulfanylpropanoate (CID 175023703) is methyl 2-acetamido-3-[2-ethoxy-1-(4-methoxyphenyl)-2-oxoethyl]sulfanylpropanoate.
What is the SMILES notation for methyl 2-acetamido-3-[2-ethoxy-1-(4-methoxyphenyl)-2-oxoethyl]sulfanylpropanoate?
The canonical SMILES for methyl 2-acetamido-3-[2-ethoxy-1-(4-methoxyphenyl)-2-oxoethyl]sulfanylpropanoate is CCOC(=O)C(SCC(NC(C)=O)C(=O)OC)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-acetamido-3-[2-ethoxy-1-(4-methoxyphenyl)-2-oxoethyl]sulfanylpropanoate?
The InChIKey is JPIGYDANJQJNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6S/c1-5-24-17(21)15(12-6-8-13(22-3)9-7-12)25-10-14(16(20)23-4)18-11(2)19/h6-9,14-15H,5,10H2,1-4H3,(H,18,19).
What are the key properties of methyl 2-acetamido-3-[2-ethoxy-1-(4-methoxyphenyl)-2-oxoethyl]sulfanylpropanoate?
methyl 2-acetamido-3-[2-ethoxy-1-(4-methoxyphenyl)-2-oxoethyl]sulfanylpropanoate has a molecular weight of 369.44 g/mol, XLogP of 1.71, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[2-ethoxy-1-(4-methoxyphenyl)-2-oxoethyl]sulfanylpropanoate is sourced from PubChem (CID 175023703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).