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

C15H18N2OS — CID 5189501

IUPAC1-(2-phenylethyl)-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1ccccc1)NCCc1cccs1
InChIInChI=1S/C15H18N2OS/c18-15(17-11-9-14-7-4-12-19-14)16-10-8-13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H2,16,17,18)
InChIKeyUDCRTAOPLVJYTI-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.83
Rot. Bonds6

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

1-(2-phenylethyl)-3-(2-thiophen-2-ylethyl)urea (PubChem CID 5189501) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-(2-thiophen-2-ylethyl)urea
PubChem CID5189501
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-(2-phenylethyl)-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1ccccc1)NCCc1cccs1
InChIInChI=1S/C15H18N2OS/c18-15(17-11-9-14-7-4-12-19-14)16-10-8-13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H2,16,17,18)
InChIKeyUDCRTAOPLVJYTI-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(2-phenylethyl)-3-(2-thiophen-2-ylethyl)urea (CID 5189501) is 1-(2-phenylethyl)-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(2-phenylethyl)-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(2-phenylethyl)-3-(2-thiophen-2-ylethyl)urea is O=C(NCCc1ccccc1)NCCc1cccs1.
What is the InChIKey of 1-(2-phenylethyl)-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is UDCRTAOPLVJYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c18-15(17-11-9-14-7-4-12-19-14)16-10-8-13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H2,16,17,18).
What are the key properties of 1-(2-phenylethyl)-3-(2-thiophen-2-ylethyl)urea?
1-(2-phenylethyl)-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 274.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 5189501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).