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

C24H28N2O5S — CID 42704946

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

3-(2,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)urea (PubChem CID 42704946) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

• Compound Name: 3-(2,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)urea
• PubChem CID: 42704946
• Molecular Formula: C24H28N2O5S
• Molecular Weight: 456.56 g/mol
• Exact Mass: 456.17
• IUPAC Name: 3-(2,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)urea
• SMILES: COc1ccc(NC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2cccs2)c(OC)c1
• InChI: InChI=1S/C24H28N2O5S/c1-28-18-8-9-20(22(15-18)30-3)25-24(27)26(16-19-6-5-13-32-19)12-11-17-7-10-21(29-2)23(14-17)31-4/h5-10,13-15H,11-12,16H2,1-4H3,(H,25,27)
• InChIKey: CFLNYNWSVHZAJE-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 69.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.56
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)urea?

The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)urea (CID 42704946) is 3-(2,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)urea.

What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)urea?

The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)urea is COc1ccc(NC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2cccs2)c(OC)c1.

What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)urea?

The InChIKey is CFLNYNWSVHZAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c1-28-18-8-9-20(22(15-18)30-3)25-24(27)26(16-19-6-5-13-32-19)12-11-17-7-10-21(29-2)23(14-17)31-4/h5-10,13-15H,11-12,16H2,1-4H3,(H,25,27).

What are the key properties of 3-(2,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)urea?

3-(2,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)urea has a molecular weight of 456.56 g/mol, XLogP of 5.06, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 42704946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).