1-(2-methoxyethyl)-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea

C14H22N2O2S — CID 86263803

IUPAC1-(2-methoxyethyl)-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea
SMILESCOCCNC(=O)NCC1(c2ccsc2)CCCC1
InChIInChI=1S/C14H22N2O2S/c1-18-8-7-15-13(17)16-11-14(5-2-3-6-14)12-4-9-19-10-12/h4,9-10H,2-3,5-8,11H2,1H3,(H2,15,16,17)
InChIKeyVPLLHGWZXZUEPI-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.51
Rot. Bonds6

About 1-(2-methoxyethyl)-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea

1-(2-methoxyethyl)-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea (PubChem CID 86263803) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea
PubChem CID86263803
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(2-methoxyethyl)-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea
SMILESCOCCNC(=O)NCC1(c2ccsc2)CCCC1
InChIInChI=1S/C14H22N2O2S/c1-18-8-7-15-13(17)16-11-14(5-2-3-6-14)12-4-9-19-10-12/h4,9-10H,2-3,5-8,11H2,1H3,(H2,15,16,17)
InChIKeyVPLLHGWZXZUEPI-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(2-methoxyethyl)-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea (CID 86263803) is 1-(2-methoxyethyl)-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea is COCCNC(=O)NCC1(c2ccsc2)CCCC1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea?
The InChIKey is VPLLHGWZXZUEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-18-8-7-15-13(17)16-11-14(5-2-3-6-14)12-4-9-19-10-12/h4,9-10H,2-3,5-8,11H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-methoxyethyl)-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea?
1-(2-methoxyethyl)-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea has a molecular weight of 282.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(1-thiophen-3-ylcyclopentyl)methyl]urea is sourced from PubChem (CID 86263803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).