methyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate

C14H20N2O3S — CID 83256806

IUPACmethyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate
SMILESCCCC1NC(c2cccs2)N(CCC(=O)OC)C1=O
InChIInChI=1S/C14H20N2O3S/c1-3-5-10-14(18)16(8-7-12(17)19-2)13(15-10)11-6-4-9-20-11/h4,6,9-10,13,15H,3,5,7-8H2,1-2H3
InChIKeySBUNMNZSVCJJAU-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.91
Rot. Bonds6

About methyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate

methyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate (PubChem CID 83256806) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is methyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate
PubChem CID83256806
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Namemethyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate
SMILESCCCC1NC(c2cccs2)N(CCC(=O)OC)C1=O
InChIInChI=1S/C14H20N2O3S/c1-3-5-10-14(18)16(8-7-12(17)19-2)13(15-10)11-6-4-9-20-11/h4,6,9-10,13,15H,3,5,7-8H2,1-2H3
InChIKeySBUNMNZSVCJJAU-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83262811
3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83255729
5-butyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83243552
5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83237065
3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 106021786
methyl 3-(4-ethyl-5-oxo-2-phenylimidazolidin-1-yl)propanoate
CID 83256152
3-(1-methoxypropan-2-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83239793
3-(2-methoxyethyl)-5-(2-methylpropyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83242785
3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83240108
3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83246154
3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83268306
5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83244038

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate?
The IUPAC name of methyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate (CID 83256806) is methyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate is CCCC1NC(c2cccs2)N(CCC(=O)OC)C1=O.
What is the InChIKey of methyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate?
The InChIKey is SBUNMNZSVCJJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-5-10-14(18)16(8-7-12(17)19-2)13(15-10)11-6-4-9-20-11/h4,6,9-10,13,15H,3,5,7-8H2,1-2H3.
What are the key properties of methyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate?
methyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate has a molecular weight of 296.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate is sourced from PubChem (CID 83256806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).