1-(3,4-dimethoxyphenyl)-3-thiophen-2-ylurea

C13H14N2O3S — CID 3242733

IUPAC1-(3,4-dimethoxyphenyl)-3-thiophen-2-ylurea
SMILESCOc1ccc(NC(=O)Nc2cccs2)cc1OC
InChIInChI=1S/C13H14N2O3S/c1-17-10-6-5-9(8-11(10)18-2)14-13(16)15-12-4-3-7-19-12/h3-8H,1-2H3,(H2,14,15,16)
InChIKeyDJEQSYSLLCDMBM-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.41
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-3-thiophen-2-ylurea

1-(3,4-dimethoxyphenyl)-3-thiophen-2-ylurea (PubChem CID 3242733) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-thiophen-2-ylurea
PubChem CID3242733
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name1-(3,4-dimethoxyphenyl)-3-thiophen-2-ylurea
SMILESCOc1ccc(NC(=O)Nc2cccs2)cc1OC
InChIInChI=1S/C13H14N2O3S/c1-17-10-6-5-9(8-11(10)18-2)14-13(16)15-12-4-3-7-19-12/h3-8H,1-2H3,(H2,14,15,16)
InChIKeyDJEQSYSLLCDMBM-UHFFFAOYSA-N
XLogP3.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-thiophen-2-ylurea (CID 3242733) is 1-(3,4-dimethoxyphenyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-thiophen-2-ylurea is COc1ccc(NC(=O)Nc2cccs2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-thiophen-2-ylurea?
The InChIKey is DJEQSYSLLCDMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-17-10-6-5-9(8-11(10)18-2)14-13(16)15-12-4-3-7-19-12/h3-8H,1-2H3,(H2,14,15,16).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-thiophen-2-ylurea?
1-(3,4-dimethoxyphenyl)-3-thiophen-2-ylurea has a molecular weight of 278.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 3242733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).