1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea

C15H18N2O2S — CID 47041181

IUPAC1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
SMILESCC(C)Oc1ccccc1NC(=O)NCc1cccs1
InChIInChI=1S/C15H18N2O2S/c1-11(2)19-14-8-4-3-7-13(14)17-15(18)16-10-12-6-5-9-20-12/h3-9,11H,10H2,1-2H3,(H2,16,17,18)
InChIKeyZKGPROZNGBAAAK-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.86
Rot. Bonds5

About 1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea

1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 47041181) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID47041181
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
SMILESCC(C)Oc1ccccc1NC(=O)NCc1cccs1
InChIInChI=1S/C15H18N2O2S/c1-11(2)19-14-8-4-3-7-13(14)17-15(18)16-10-12-6-5-9-20-12/h3-9,11H,10H2,1-2H3,(H2,16,17,18)
InChIKeyZKGPROZNGBAAAK-UHFFFAOYSA-N
XLogP3.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-propan-2-yloxyphenyl)-3-(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

Related Compounds

1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
CID 60569804
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide
CID 112998996
1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 75507329
1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea
CID 47221939
1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 38159170
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide
CID 110698081
1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 108988227
1-amino-3-(2-propan-2-yloxyphenyl)urea
CID 82283845
1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea
CID 47221937
2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide
CID 134061199
1-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 60569654
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea (CID 47041181) is 1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea is CC(C)Oc1ccccc1NC(=O)NCc1cccs1.
What is the InChIKey of 1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is ZKGPROZNGBAAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11(2)19-14-8-4-3-7-13(14)17-15(18)16-10-12-6-5-9-20-12/h3-9,11H,10H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea?
1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 290.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 47041181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).