1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea

C13H16N2O3S — CID 71804034

IUPAC1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea
SMILESCOCCN(Cc1ccoc1)C(=O)Nc1cccs1
InChIInChI=1S/C13H16N2O3S/c1-17-7-5-15(9-11-4-6-18-10-11)13(16)14-12-3-2-8-19-12/h2-4,6,8,10H,5,7,9H2,1H3,(H,14,16)
InChIKeyMLRSCGTWGXOXCE-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.02
Rot. Bonds6

About 1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea

1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea (PubChem CID 71804034) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea
PubChem CID71804034
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea
SMILESCOCCN(Cc1ccoc1)C(=O)Nc1cccs1
InChIInChI=1S/C13H16N2O3S/c1-17-7-5-15(9-11-4-6-18-10-11)13(16)14-12-3-2-8-19-12/h2-4,6,8,10H,5,7,9H2,1H3,(H,14,16)
InChIKeyMLRSCGTWGXOXCE-UHFFFAOYSA-N
XLogP3.02
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
CID 90582837
3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
CID 90582835
3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
CID 90582843
1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583385
1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea
CID 90583403
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)pent-4-enamide
CID 73167845
3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583396
1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea
CID 90583109
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 90582750
(E)-3-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide
CID 71803931
2,5-dichloro-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 90582703
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide
CID 90582669

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea (CID 71804034) is 1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea is COCCN(Cc1ccoc1)C(=O)Nc1cccs1.
What is the InChIKey of 1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea?
The InChIKey is MLRSCGTWGXOXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-17-7-5-15(9-11-4-6-18-10-11)13(16)14-12-3-2-8-19-12/h2-4,6,8,10H,5,7,9H2,1H3,(H,14,16).
What are the key properties of 1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea?
1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea has a molecular weight of 280.35 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 71804034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).