4-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid

C12H16N2O6S2 — CID 146093019

IUPAC4-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
SMILESCOCCN1CN(S(=O)(=O)c2cc(C(=O)O)sc2C)CC1=O
InChIInChI=1S/C12H16N2O6S2/c1-8-10(5-9(21-8)12(16)17)22(18,19)14-6-11(15)13(7-14)3-4-20-2/h5H,3-4,6-7H2,1-2H3,(H,16,17)
InChIKeyFHTSZQFLJONUKL-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.19
Rot. Bonds6

About 4-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid

4-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid (PubChem CID 146093019) has the molecular formula C12H16N2O6S2 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
PubChem CID146093019
Molecular FormulaC12H16N2O6S2
Molecular Weight348.40 g/mol
Exact Mass348.04
IUPAC Name4-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
SMILESCOCCN1CN(S(=O)(=O)c2cc(C(=O)O)sc2C)CC1=O
InChIInChI=1S/C12H16N2O6S2/c1-8-10(5-9(21-8)12(16)17)22(18,19)14-6-11(15)13(7-14)3-4-20-2/h5H,3-4,6-7H2,1-2H3,(H,16,17)
InChIKeyFHTSZQFLJONUKL-UHFFFAOYSA-N
XLogP0.19
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid (CID 146093019) is 4-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid is COCCN1CN(S(=O)(=O)c2cc(C(=O)O)sc2C)CC1=O.
What is the InChIKey of 4-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid?
The InChIKey is FHTSZQFLJONUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S2/c1-8-10(5-9(21-8)12(16)17)22(18,19)14-6-11(15)13(7-14)3-4-20-2/h5H,3-4,6-7H2,1-2H3,(H,16,17).
What are the key properties of 4-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid?
4-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 146093019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).