3-ethyl-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea

C13H16N2O2S — CID 71804132

IUPAC3-ethyl-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea
SMILESCCNC(=O)N(Cc1ccoc1)Cc1cccs1
InChIInChI=1S/C13H16N2O2S/c1-2-14-13(16)15(8-11-5-6-17-10-11)9-12-4-3-7-18-12/h3-7,10H,2,8-9H2,1H3,(H,14,16)
InChIKeyPHKFJVBSVALINM-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.07
Rot. Bonds5

About 3-ethyl-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea

3-ethyl-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 71804132) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-ethyl-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-ethyl-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea
PubChem CID71804132
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-ethyl-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea
SMILESCCNC(=O)N(Cc1ccoc1)Cc1cccs1
InChIInChI=1S/C13H16N2O2S/c1-2-14-13(16)15(8-11-5-6-17-10-11)9-12-4-3-7-18-12/h3-7,10H,2,8-9H2,1H3,(H,14,16)
InChIKeyPHKFJVBSVALINM-UHFFFAOYSA-N
XLogP3.07
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-ethyl-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea (CID 71804132) is 3-ethyl-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-ethyl-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-ethyl-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea is CCNC(=O)N(Cc1ccoc1)Cc1cccs1.
What is the InChIKey of 3-ethyl-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is PHKFJVBSVALINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-2-14-13(16)15(8-11-5-6-17-10-11)9-12-4-3-7-18-12/h3-7,10H,2,8-9H2,1H3,(H,14,16).
What are the key properties of 3-ethyl-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
3-ethyl-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 264.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71804132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).