2-[2-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyethoxy]acetyl]oxyethoxy]acetic acid

C22H24O9S — CID 124835675

IUPAC2-[2-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyethoxy]acetyl]oxyethoxy]acetic acid
SMILESC[C@@H](C(=O)OCCOCC(=O)OCCOCC(=O)O)c1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C22H24O9S/c1-15(17-7-8-18(32-17)21(26)16-5-3-2-4-6-16)22(27)31-12-10-29-14-20(25)30-11-9-28-13-19(23)24/h2-8,15H,9-14H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyDVUTYOJNBAHLCB-OAHLLOKOSA-N
MW464.49 g/mol
LogP2.29
Rot. Bonds14

About 2-[2-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyethoxy]acetyl]oxyethoxy]acetic acid

2-[2-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyethoxy]acetyl]oxyethoxy]acetic acid (PubChem CID 124835675) has the molecular formula C22H24O9S and a molecular weight of 464.49 g/mol. Its IUPAC name is 2-[2-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyethoxy]acetyl]oxyethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyethoxy]acetyl]oxyethoxy]acetic acid
PubChem CID124835675
Molecular FormulaC22H24O9S
Molecular Weight464.49 g/mol
Exact Mass464.11
IUPAC Name2-[2-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyethoxy]acetyl]oxyethoxy]acetic acid
SMILESC[C@@H](C(=O)OCCOCC(=O)OCCOCC(=O)O)c1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C22H24O9S/c1-15(17-7-8-18(32-17)21(26)16-5-3-2-4-6-16)22(27)31-12-10-29-14-20(25)30-11-9-28-13-19(23)24/h2-8,15H,9-14H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyDVUTYOJNBAHLCB-OAHLLOKOSA-N
XLogP2.29
TPSA125.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(5-benzoylthiophen-2-yl)-4-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyacetyl]oxyethoxy]-2-methyl-4-oxobutanoic acid
CID 124914059
methyl 2-(5-benzoylthiophen-2-yl)propanoate
CID 527330
2-[2-[2-[2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetyl]oxyethoxy]-2-oxoethoxy]ethyl (2S)-2-(3-benzoylphenyl)propanoate
CID 124834995
2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid
CID 124835055
(2S)-2-[(2R)-2-(5-benzoylthiophen-2-yl)propanoyl]oxypropanethioic S-acid
CID 125121137
[5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone
CID 151984178
2-(5-benzoylthiophen-2-yl)propanenitrile
CID 67369420
2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid
CID 158939829
[2-[2-[2-[2-(3-benzoylphenyl)propanoyloxy]acetyl]oxyethoxy]-2-oxoethyl] 2-(4-benzoylphenyl)propanoate
CID 132939559
(5-benzoylthiophen-2-yl)-phenylmethanone;boranuide
CID 158491316
2-(5-benzoylthiophen-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)propanamide
CID 52916404
2-(5-benzoylthiophen-2-yl)acetic acid
CID 3751763

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyethoxy]acetyl]oxyethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyethoxy]acetyl]oxyethoxy]acetic acid (CID 124835675) is 2-[2-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyethoxy]acetyl]oxyethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyethoxy]acetyl]oxyethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyethoxy]acetyl]oxyethoxy]acetic acid is C[C@@H](C(=O)OCCOCC(=O)OCCOCC(=O)O)c1ccc(C(=O)c2ccccc2)s1.
What is the InChIKey of 2-[2-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyethoxy]acetyl]oxyethoxy]acetic acid?
The InChIKey is DVUTYOJNBAHLCB-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24O9S/c1-15(17-7-8-18(32-17)21(26)16-5-3-2-4-6-16)22(27)31-12-10-29-14-20(25)30-11-9-28-13-19(23)24/h2-8,15H,9-14H2,1H3,(H,23,24)/t15-/m1/s1.
What are the key properties of 2-[2-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyethoxy]acetyl]oxyethoxy]acetic acid?
2-[2-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyethoxy]acetyl]oxyethoxy]acetic acid has a molecular weight of 464.49 g/mol, XLogP of 2.29, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[(2S)-2-(5-benzoylthiophen-2-yl)propanoyl]oxyethoxy]acetyl]oxyethoxy]acetic acid is sourced from PubChem (CID 124835675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).