1-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylurea

C13H14N2O2S — CID 3244550

IUPAC1-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylurea
SMILESCOc1cccc(CNC(=O)Nc2cccs2)c1
InChIInChI=1S/C13H14N2O2S/c1-17-11-5-2-4-10(8-11)9-14-13(16)15-12-6-3-7-18-12/h2-8H,9H2,1H3,(H2,14,15,16)
InChIKeyTZJDXYAPOCJVKE-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.08
Rot. Bonds4

About 1-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylurea

1-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylurea (PubChem CID 3244550) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylurea
PubChem CID3244550
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylurea
SMILESCOc1cccc(CNC(=O)Nc2cccs2)c1
InChIInChI=1S/C13H14N2O2S/c1-17-11-5-2-4-10(8-11)9-14-13(16)15-12-6-3-7-18-12/h2-8H,9H2,1H3,(H2,14,15,16)
InChIKeyTZJDXYAPOCJVKE-UHFFFAOYSA-N
XLogP3.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylurea (CID 3244550) is 1-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylurea is COc1cccc(CNC(=O)Nc2cccs2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylurea?
The InChIKey is TZJDXYAPOCJVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-17-11-5-2-4-10(8-11)9-14-13(16)15-12-6-3-7-18-12/h2-8H,9H2,1H3,(H2,14,15,16).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylurea?
1-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylurea has a molecular weight of 262.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 3244550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).