3-(4-methoxyphenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea

C16H20N2O2S — CID 22510668

IUPAC3-(4-methoxyphenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
SMILESCCCN(Cc1cccs1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-10-18(12-15-5-4-11-21-15)16(19)17-13-6-8-14(20-2)9-7-13/h4-9,11H,3,10,12H2,1-2H3,(H,17,19)
InChIKeyLBFKPURZOUDHIC-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.20
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea

3-(4-methoxyphenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 22510668) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
PubChem CID22510668
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-(4-methoxyphenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
SMILESCCCN(Cc1cccs1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-10-18(12-15-5-4-11-21-15)16(19)17-13-6-8-14(20-2)9-7-13/h4-9,11H,3,10,12H2,1-2H3,(H,17,19)
InChIKeyLBFKPURZOUDHIC-UHFFFAOYSA-N
XLogP4.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyphenyl)-1-propyl-1-(thiophen-2-ylmethyl)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 3-(4-methoxyphenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-(4-methoxyphenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea (CID 22510668) is 3-(4-methoxyphenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-(4-methoxyphenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea is CCCN(Cc1cccs1)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is LBFKPURZOUDHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-10-18(12-15-5-4-11-21-15)16(19)17-13-6-8-14(20-2)9-7-13/h4-9,11H,3,10,12H2,1-2H3,(H,17,19).
What are the key properties of 3-(4-methoxyphenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea?
3-(4-methoxyphenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 304.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 22510668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).