3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea

C20H22N2O4S — CID 90495815

IUPAC3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
SMILESCOc1cc(NC(=O)N(CCc2cccs2)Cc2ccco2)cc(OC)c1
InChIInChI=1S/C20H22N2O4S/c1-24-17-11-15(12-18(13-17)25-2)21-20(23)22(14-16-5-3-9-26-16)8-7-19-6-4-10-27-19/h3-6,9-13H,7-8,14H2,1-2H3,(H,21,23)
InChIKeyHCTDJXMQPIFZJI-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.64
Rot. Bonds8

About 3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea

3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea (PubChem CID 90495815) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
PubChem CID90495815
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
SMILESCOc1cc(NC(=O)N(CCc2cccs2)Cc2ccco2)cc(OC)c1
InChIInChI=1S/C20H22N2O4S/c1-24-17-11-15(12-18(13-17)25-2)21-20(23)22(14-16-5-3-9-26-16)8-7-19-6-4-10-27-19/h3-6,9-13H,7-8,14H2,1-2H3,(H,21,23)
InChIKeyHCTDJXMQPIFZJI-UHFFFAOYSA-N
XLogP4.64
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 90495819
N-(furan-2-ylmethyl)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90495633
3-(2,6-difluorophenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495809
3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 71781376
N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 71781358
3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495795
3-(3-chloro-4-methylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 24528930
N-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 90495710
1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea
CID 91812766
N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 90495647
1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 71781383
2-[benzyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 55354188

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea (CID 90495815) is 3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea is COc1cc(NC(=O)N(CCc2cccs2)Cc2ccco2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea?
The InChIKey is HCTDJXMQPIFZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-24-17-11-15(12-18(13-17)25-2)21-20(23)22(14-16-5-3-9-26-16)8-7-19-6-4-10-27-19/h3-6,9-13H,7-8,14H2,1-2H3,(H,21,23).
What are the key properties of 3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea?
3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea has a molecular weight of 386.47 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 90495815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).