2-[3-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonylphenyl]acetic acid

C14H18N2O6S — CID 138003220

IUPAC2-[3-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonylphenyl]acetic acid
SMILESCOCCN1CN(S(=O)(=O)c2cccc(CC(=O)O)c2)CC1=O
InChIInChI=1S/C14H18N2O6S/c1-22-6-5-15-10-16(9-13(15)17)23(20,21)12-4-2-3-11(7-12)8-14(18)19/h2-4,7H,5-6,8-10H2,1H3,(H,18,19)
InChIKeyRAKHWLOVHQDSLG-UHFFFAOYSA-N
MW342.37 g/mol
LogP-0.25
Rot. Bonds7

About 2-[3-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonylphenyl]acetic acid

2-[3-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonylphenyl]acetic acid (PubChem CID 138003220) has the molecular formula C14H18N2O6S and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[3-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonylphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonylphenyl]acetic acid
PubChem CID138003220
Molecular FormulaC14H18N2O6S
Molecular Weight342.37 g/mol
Exact Mass342.09
IUPAC Name2-[3-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonylphenyl]acetic acid
SMILESCOCCN1CN(S(=O)(=O)c2cccc(CC(=O)O)c2)CC1=O
InChIInChI=1S/C14H18N2O6S/c1-22-6-5-15-10-16(9-13(15)17)23(20,21)12-4-2-3-11(7-12)8-14(18)19/h2-4,7H,5-6,8-10H2,1H3,(H,18,19)
InChIKeyRAKHWLOVHQDSLG-UHFFFAOYSA-N
XLogP-0.25
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonylphenyl]acetic acid?
The IUPAC name of 2-[3-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonylphenyl]acetic acid (CID 138003220) is 2-[3-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonylphenyl]acetic acid.
What is the SMILES notation for 2-[3-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonylphenyl]acetic acid?
The canonical SMILES for 2-[3-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonylphenyl]acetic acid is COCCN1CN(S(=O)(=O)c2cccc(CC(=O)O)c2)CC1=O.
What is the InChIKey of 2-[3-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonylphenyl]acetic acid?
The InChIKey is RAKHWLOVHQDSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6S/c1-22-6-5-15-10-16(9-13(15)17)23(20,21)12-4-2-3-11(7-12)8-14(18)19/h2-4,7H,5-6,8-10H2,1H3,(H,18,19).
What are the key properties of 2-[3-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonylphenyl]acetic acid?
2-[3-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonylphenyl]acetic acid has a molecular weight of 342.37 g/mol, XLogP of -0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonylphenyl]acetic acid is sourced from PubChem (CID 138003220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).