1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)urea

C14H16N2OS — CID 2998480

IUPAC1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(Cc1cccs1)NC(=O)Nc1ccccc1
InChIInChI=1S/C14H16N2OS/c1-11(10-13-8-5-9-18-13)15-14(17)16-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H2,15,16,17)
InChIKeyMMOWDBQIGUAYOF-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.50
Rot. Bonds4

About 1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)urea

1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)urea (PubChem CID 2998480) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)urea
PubChem CID2998480
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(Cc1cccs1)NC(=O)Nc1ccccc1
InChIInChI=1S/C14H16N2OS/c1-11(10-13-8-5-9-18-13)15-14(17)16-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H2,15,16,17)
InChIKeyMMOWDBQIGUAYOF-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.50
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-ylpropan-2-yl)urea?
The IUPAC name of 1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)urea (CID 2998480) is 1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)urea.
What is the SMILES notation for 1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)urea?
The canonical SMILES for 1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)urea is CC(Cc1cccs1)NC(=O)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)urea?
The InChIKey is MMOWDBQIGUAYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-11(10-13-8-5-9-18-13)15-14(17)16-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H2,15,16,17).
What are the key properties of 1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)urea?
1-phenyl-3-(1-thiophen-2-ylpropan-2-yl)urea has a molecular weight of 260.36 g/mol, XLogP of 3.50, 4 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-ylpropan-2-yl)urea is sourced from PubChem (CID 2998480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).