3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea

C14H22N2O3S — CID 90610828

IUPAC3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
SMILESCOCCNC(=O)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C14H22N2O3S/c1-18-9-6-15-14(17)16(11-13-3-2-10-20-13)12-4-7-19-8-5-12/h2-3,10,12H,4-9,11H2,1H3,(H,15,17)
InChIKeyFFGWVACPXYBWFK-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.09
Rot. Bonds6

About 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea

3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 90610828) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
PubChem CID90610828
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
SMILESCOCCNC(=O)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C14H22N2O3S/c1-18-9-6-15-14(17)16(11-13-3-2-10-20-13)12-4-7-19-8-5-12/h2-3,10,12H,4-9,11H2,1H3,(H,15,17)
InChIKeyFFGWVACPXYBWFK-UHFFFAOYSA-N
XLogP2.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea (CID 90610828) is 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea is COCCNC(=O)N(Cc1cccs1)C1CCOCC1.
What is the InChIKey of 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is FFGWVACPXYBWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-18-9-6-15-14(17)16(11-13-3-2-10-20-13)12-4-7-19-8-5-12/h2-3,10,12H,4-9,11H2,1H3,(H,15,17).
What are the key properties of 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea?
3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 298.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 90610828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).