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

C13H14N2OS — CID 3146847

IUPAC1-phenyl-3-(1-thiophen-2-ylethyl)urea
SMILESCC(NC(=O)Nc1ccccc1)c1cccs1
InChIInChI=1S/C13H14N2OS/c1-10(12-8-5-9-17-12)14-13(16)15-11-6-3-2-4-7-11/h2-10H,1H3,(H2,14,15,16)
InChIKeyAVXSCMMPYVDWQV-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.63
Rot. Bonds3

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

1-phenyl-3-(1-thiophen-2-ylethyl)urea (PubChem CID 3146847) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-phenyl-3-(1-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(1-thiophen-2-ylethyl)urea
PubChem CID3146847
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name1-phenyl-3-(1-thiophen-2-ylethyl)urea
SMILESCC(NC(=O)Nc1ccccc1)c1cccs1
InChIInChI=1S/C13H14N2OS/c1-10(12-8-5-9-17-12)14-13(16)15-11-6-3-2-4-7-11/h2-10H,1H3,(H2,14,15,16)
InChIKeyAVXSCMMPYVDWQV-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(1-thiophen-2-ylethyl)urea?
The IUPAC name of 1-phenyl-3-(1-thiophen-2-ylethyl)urea (CID 3146847) is 1-phenyl-3-(1-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-phenyl-3-(1-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-phenyl-3-(1-thiophen-2-ylethyl)urea is CC(NC(=O)Nc1ccccc1)c1cccs1.
What is the InChIKey of 1-phenyl-3-(1-thiophen-2-ylethyl)urea?
The InChIKey is AVXSCMMPYVDWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10(12-8-5-9-17-12)14-13(16)15-11-6-3-2-4-7-11/h2-10H,1H3,(H2,14,15,16).
What are the key properties of 1-phenyl-3-(1-thiophen-2-ylethyl)urea?
1-phenyl-3-(1-thiophen-2-ylethyl)urea has a molecular weight of 246.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1-thiophen-2-ylethyl)urea is sourced from PubChem (CID 3146847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).