1-[2-(2,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylurea

C15H18N2O3S — CID 4101599

IUPAC1-[2-(2,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylurea
SMILESCOc1ccc(CCNC(=O)Nc2cccs2)c(OC)c1
InChIInChI=1S/C15H18N2O3S/c1-19-12-6-5-11(13(10-12)20-2)7-8-16-15(18)17-14-4-3-9-21-14/h3-6,9-10H,7-8H2,1-2H3,(H2,16,17,18)
InChIKeyJHPWLMVWYIHLRT-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.13
Rot. Bonds6

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

1-[2-(2,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylurea (PubChem CID 4101599) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-[2-(2,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[2-(2,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylurea
PubChem CID4101599
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-[2-(2,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylurea
SMILESCOc1ccc(CCNC(=O)Nc2cccs2)c(OC)c1
InChIInChI=1S/C15H18N2O3S/c1-19-12-6-5-11(13(10-12)20-2)7-8-16-15(18)17-14-4-3-9-21-14/h3-6,9-10H,7-8H2,1-2H3,(H2,16,17,18)
InChIKeyJHPWLMVWYIHLRT-UHFFFAOYSA-N
XLogP3.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[2-(2,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylurea (CID 4101599) is 1-[2-(2,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[2-(2,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[2-(2,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylurea is COc1ccc(CCNC(=O)Nc2cccs2)c(OC)c1.
What is the InChIKey of 1-[2-(2,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylurea?
The InChIKey is JHPWLMVWYIHLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-19-12-6-5-11(13(10-12)20-2)7-8-16-15(18)17-14-4-3-9-21-14/h3-6,9-10H,7-8H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[2-(2,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylurea?
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylurea has a molecular weight of 306.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 4101599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).