1-(4-ethylphenyl)-3-thiophen-2-ylurea

C13H14N2OS — CID 3245074

IUPAC1-(4-ethylphenyl)-3-thiophen-2-ylurea
SMILESCCc1ccc(NC(=O)Nc2cccs2)cc1
InChIInChI=1S/C13H14N2OS/c1-2-10-5-7-11(8-6-10)14-13(16)15-12-4-3-9-17-12/h3-9H,2H2,1H3,(H2,14,15,16)
InChIKeyZYWMFNDRKSPWOT-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.95
Rot. Bonds3

About 1-(4-ethylphenyl)-3-thiophen-2-ylurea

1-(4-ethylphenyl)-3-thiophen-2-ylurea (PubChem CID 3245074) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-thiophen-2-ylurea
PubChem CID3245074
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name1-(4-ethylphenyl)-3-thiophen-2-ylurea
SMILESCCc1ccc(NC(=O)Nc2cccs2)cc1
InChIInChI=1S/C13H14N2OS/c1-2-10-5-7-11(8-6-10)14-13(16)15-12-4-3-9-17-12/h3-9H,2H2,1H3,(H2,14,15,16)
InChIKeyZYWMFNDRKSPWOT-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(4-ethylphenyl)-3-thiophen-2-ylurea (CID 3245074) is 1-(4-ethylphenyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(4-ethylphenyl)-3-thiophen-2-ylurea is CCc1ccc(NC(=O)Nc2cccs2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-thiophen-2-ylurea?
The InChIKey is ZYWMFNDRKSPWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-2-10-5-7-11(8-6-10)14-13(16)15-12-4-3-9-17-12/h3-9H,2H2,1H3,(H2,14,15,16).
What are the key properties of 1-(4-ethylphenyl)-3-thiophen-2-ylurea?
1-(4-ethylphenyl)-3-thiophen-2-ylurea has a molecular weight of 246.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 3245074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).