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

C14H22N2O3S — CID 91812772

IUPAC1-(2-methoxyethyl)-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea
SMILESCOCCN(Cc1ccsc1)C(=O)NC1CCOCC1
InChIInChI=1S/C14H22N2O3S/c1-18-8-5-16(10-12-4-9-20-11-12)14(17)15-13-2-6-19-7-3-13/h4,9,11,13H,2-3,5-8,10H2,1H3,(H,15,17)
InChIKeySUMNNMYHJNLEDT-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.09
Rot. Bonds6

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

1-(2-methoxyethyl)-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea (PubChem CID 91812772) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea
PubChem CID91812772
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(2-methoxyethyl)-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea
SMILESCOCCN(Cc1ccsc1)C(=O)NC1CCOCC1
InChIInChI=1S/C14H22N2O3S/c1-18-8-5-16(10-12-4-9-20-11-12)14(17)15-13-2-6-19-7-3-13/h4,9,11,13H,2-3,5-8,10H2,1H3,(H,15,17)
InChIKeySUMNNMYHJNLEDT-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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea (CID 91812772) is 1-(2-methoxyethyl)-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea is COCCN(Cc1ccsc1)C(=O)NC1CCOCC1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea?
The InChIKey is SUMNNMYHJNLEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-18-8-5-16(10-12-4-9-20-11-12)14(17)15-13-2-6-19-7-3-13/h4,9,11,13H,2-3,5-8,10H2,1H3,(H,15,17).
What are the key properties of 1-(2-methoxyethyl)-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea?
1-(2-methoxyethyl)-3-(oxan-4-yl)-1-(thiophen-3-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 1-(2-methoxyethyl)-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 91812772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).