1-(2-hydroxy-2-thiophen-2-ylethyl)-3-(2-phenylethyl)urea

C15H18N2O2S — CID 71782519

IUPAC1-(2-hydroxy-2-thiophen-2-ylethyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCC(O)c1cccs1
InChIInChI=1S/C15H18N2O2S/c18-13(14-7-4-10-20-14)11-17-15(19)16-9-8-12-5-2-1-3-6-12/h1-7,10,13,18H,8-9,11H2,(H2,16,17,19)
InChIKeyOWRYPMFDVAMZFS-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.32
Rot. Bonds6

About 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-(2-phenylethyl)urea

1-(2-hydroxy-2-thiophen-2-ylethyl)-3-(2-phenylethyl)urea (PubChem CID 71782519) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-2-ylethyl)-3-(2-phenylethyl)urea
PubChem CID71782519
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(2-hydroxy-2-thiophen-2-ylethyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCC(O)c1cccs1
InChIInChI=1S/C15H18N2O2S/c18-13(14-7-4-10-20-14)11-17-15(19)16-9-8-12-5-2-1-3-6-12/h1-7,10,13,18H,8-9,11H2,(H2,16,17,19)
InChIKeyOWRYPMFDVAMZFS-UHFFFAOYSA-N
XLogP2.32
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-(2-phenylethyl)urea (CID 71782519) is 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NCC(O)c1cccs1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-(2-phenylethyl)urea?
The InChIKey is OWRYPMFDVAMZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-13(14-7-4-10-20-14)11-17-15(19)16-9-8-12-5-2-1-3-6-12/h1-7,10,13,18H,8-9,11H2,(H2,16,17,19).
What are the key properties of 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-(2-phenylethyl)urea?
1-(2-hydroxy-2-thiophen-2-ylethyl)-3-(2-phenylethyl)urea has a molecular weight of 290.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 71782519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).