1-(3-methoxyphenyl)-3-thiophen-2-ylurea

C12H12N2O2S — CID 3242644

IUPAC1-(3-methoxyphenyl)-3-thiophen-2-ylurea
SMILESCOc1cccc(NC(=O)Nc2cccs2)c1
InChIInChI=1S/C12H12N2O2S/c1-16-10-5-2-4-9(8-10)13-12(15)14-11-6-3-7-17-11/h2-8H,1H3,(H2,13,14,15)
InChIKeyYEPPIOZUNLIUSR-UHFFFAOYSA-N
MW248.31 g/mol
LogP3.40
Rot. Bonds3

About 1-(3-methoxyphenyl)-3-thiophen-2-ylurea

1-(3-methoxyphenyl)-3-thiophen-2-ylurea (PubChem CID 3242644) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-thiophen-2-ylurea
PubChem CID3242644
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name1-(3-methoxyphenyl)-3-thiophen-2-ylurea
SMILESCOc1cccc(NC(=O)Nc2cccs2)c1
InChIInChI=1S/C12H12N2O2S/c1-16-10-5-2-4-9(8-10)13-12(15)14-11-6-3-7-17-11/h2-8H,1H3,(H2,13,14,15)
InChIKeyYEPPIOZUNLIUSR-UHFFFAOYSA-N
XLogP3.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(3-methoxyphenyl)-3-thiophen-2-ylurea (CID 3242644) is 1-(3-methoxyphenyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-thiophen-2-ylurea is COc1cccc(NC(=O)Nc2cccs2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-thiophen-2-ylurea?
The InChIKey is YEPPIOZUNLIUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-16-10-5-2-4-9(8-10)13-12(15)14-11-6-3-7-17-11/h2-8H,1H3,(H2,13,14,15).
What are the key properties of 1-(3-methoxyphenyl)-3-thiophen-2-ylurea?
1-(3-methoxyphenyl)-3-thiophen-2-ylurea has a molecular weight of 248.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 3242644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).