1-(2-thiophen-2-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea

C15H26N2OS — CID 3738612

IUPAC1-(2-thiophen-2-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(C)(C)NC(=O)NCCc1cccs1
InChIInChI=1S/C15H26N2OS/c1-14(2,3)11-15(4,5)17-13(18)16-9-8-12-7-6-10-19-12/h6-7,10H,8-9,11H2,1-5H3,(H2,16,17,18)
InChIKeyZUZSXHKGAVZKLS-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.80
Rot. Bonds5

About 1-(2-thiophen-2-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea

1-(2-thiophen-2-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea (PubChem CID 3738612) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea.

Molecular Properties

Compound Name1-(2-thiophen-2-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea
PubChem CID3738612
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name1-(2-thiophen-2-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(C)(C)NC(=O)NCCc1cccs1
InChIInChI=1S/C15H26N2OS/c1-14(2,3)11-15(4,5)17-13(18)16-9-8-12-7-6-10-19-12/h6-7,10H,8-9,11H2,1-5H3,(H2,16,17,18)
InChIKeyZUZSXHKGAVZKLS-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-thiophen-2-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea?
The IUPAC name of 1-(2-thiophen-2-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea (CID 3738612) is 1-(2-thiophen-2-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea.
What is the SMILES notation for 1-(2-thiophen-2-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea?
The canonical SMILES for 1-(2-thiophen-2-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea is CC(C)(C)CC(C)(C)NC(=O)NCCc1cccs1.
What is the InChIKey of 1-(2-thiophen-2-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea?
The InChIKey is ZUZSXHKGAVZKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-14(2,3)11-15(4,5)17-13(18)16-9-8-12-7-6-10-19-12/h6-7,10H,8-9,11H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-(2-thiophen-2-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea?
1-(2-thiophen-2-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea has a molecular weight of 282.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea is sourced from PubChem (CID 3738612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).