[2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C21H20O4S — CID 8952646

IUPAC[2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCC(=O)c3ccc(C)s3)ccc2c1
InChIInChI=1S/C21H20O4S/c1-13-4-9-20(26-13)19(22)12-25-21(23)14(2)15-5-6-17-11-18(24-3)8-7-16(17)10-15/h4-11,14H,12H2,1-3H3/t14-/m0/s1
InChIKeyNFFQEERMBSCJEJ-AWEZNQCLSA-N
MW368.45 g/mol
LogP4.75
Rot. Bonds6

About [2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

[2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 8952646) has the molecular formula C21H20O4S and a molecular weight of 368.45 g/mol. Its IUPAC name is [2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name[2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID8952646
Molecular FormulaC21H20O4S
Molecular Weight368.45 g/mol
Exact Mass368.11
IUPAC Name[2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCC(=O)c3ccc(C)s3)ccc2c1
InChIInChI=1S/C21H20O4S/c1-13-4-9-20(26-13)19(22)12-25-21(23)14(2)15-5-6-17-11-18(24-3)8-7-16(17)10-15/h4-11,14H,12H2,1-3H3/t14-/m0/s1
InChIKeyNFFQEERMBSCJEJ-AWEZNQCLSA-N
XLogP4.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate with MolForge

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Related Compounds

[2-(2-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952080
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952635
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952748
[2-(3-hydroxypropoxy)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate
CID 57485094
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952106
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 500306
[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid
CID 10031094

Frequently Asked Questions

What is the IUPAC name of [2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of [2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 8952646) is [2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for [2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for [2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)OCC(=O)c3ccc(C)s3)ccc2c1.
What is the InChIKey of [2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is NFFQEERMBSCJEJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20O4S/c1-13-4-9-20(26-13)19(22)12-25-21(23)14(2)15-5-6-17-11-18(24-3)8-7-16(17)10-15/h4-11,14H,12H2,1-3H3/t14-/m0/s1.
What are the key properties of [2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
[2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 368.45 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 8952646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).