1-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylethyl)urea

C15H18N2OS — CID 3737051

IUPAC1-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylethyl)urea
SMILESCc1ccc(CNC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C15H18N2OS/c1-12-4-6-13(7-5-12)11-17-15(18)16-9-8-14-3-2-10-19-14/h2-7,10H,8-9,11H2,1H3,(H2,16,17,18)
InChIKeyXXUOUEYJEXGYDS-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.10
Rot. Bonds5

About 1-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylethyl)urea

1-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylethyl)urea (PubChem CID 3737051) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylethyl)urea
PubChem CID3737051
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylethyl)urea
SMILESCc1ccc(CNC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C15H18N2OS/c1-12-4-6-13(7-5-12)11-17-15(18)16-9-8-14-3-2-10-19-14/h2-7,10H,8-9,11H2,1H3,(H2,16,17,18)
InChIKeyXXUOUEYJEXGYDS-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylethyl)urea (CID 3737051) is 1-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylethyl)urea is Cc1ccc(CNC(=O)NCCc2cccs2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is XXUOUEYJEXGYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-12-4-6-13(7-5-12)11-17-15(18)16-9-8-14-3-2-10-19-14/h2-7,10H,8-9,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylethyl)urea?
1-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 274.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 3737051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).