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

C13H14N2OS — CID 6459587

IUPAC1-phenyl-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)Nc1ccccc1
InChIInChI=1S/C13H14N2OS/c16-13(15-11-5-2-1-3-6-11)14-9-8-12-7-4-10-17-12/h1-7,10H,8-9H2,(H2,14,15,16)
InChIKeyOAQLJJUTVIXNMB-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.11
Rot. Bonds4

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

1-phenyl-3-(2-thiophen-2-ylethyl)urea (PubChem CID 6459587) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-phenyl-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(2-thiophen-2-ylethyl)urea
PubChem CID6459587
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name1-phenyl-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)Nc1ccccc1
InChIInChI=1S/C13H14N2OS/c16-13(15-11-5-2-1-3-6-11)14-9-8-12-7-4-10-17-12/h1-7,10H,8-9H2,(H2,14,15,16)
InChIKeyOAQLJJUTVIXNMB-UHFFFAOYSA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-phenyl-3-(2-thiophen-2-ylethyl)urea (CID 6459587) is 1-phenyl-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-phenyl-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-phenyl-3-(2-thiophen-2-ylethyl)urea is O=C(NCCc1cccs1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is OAQLJJUTVIXNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c16-13(15-11-5-2-1-3-6-11)14-9-8-12-7-4-10-17-12/h1-7,10H,8-9H2,(H2,14,15,16).
What are the key properties of 1-phenyl-3-(2-thiophen-2-ylethyl)urea?
1-phenyl-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 246.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 6459587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).