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

C14H18N2O2S — CID 71804220

IUPAC3-ethyl-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
SMILESCCNC(=O)N(CCc1cccs1)Cc1ccoc1
InChIInChI=1S/C14H18N2O2S/c1-2-15-14(17)16(10-12-6-8-18-11-12)7-5-13-4-3-9-19-13/h3-4,6,8-9,11H,2,5,7,10H2,1H3,(H,15,17)
InChIKeyWIXWIABLVPPRBA-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.12
Rot. Bonds6

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

3-ethyl-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea (PubChem CID 71804220) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-ethyl-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name3-ethyl-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
PubChem CID71804220
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-ethyl-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
SMILESCCNC(=O)N(CCc1cccs1)Cc1ccoc1
InChIInChI=1S/C14H18N2O2S/c1-2-15-14(17)16(10-12-6-8-18-11-12)7-5-13-4-3-9-19-13/h3-4,6,8-9,11H,2,5,7,10H2,1H3,(H,15,17)
InChIKeyWIXWIABLVPPRBA-UHFFFAOYSA-N
XLogP3.12
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.12
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-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 3-ethyl-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea (CID 71804220) is 3-ethyl-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 3-ethyl-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 3-ethyl-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea is CCNC(=O)N(CCc1cccs1)Cc1ccoc1.
What is the InChIKey of 3-ethyl-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea?
The InChIKey is WIXWIABLVPPRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-15-14(17)16(10-12-6-8-18-11-12)7-5-13-4-3-9-19-13/h3-4,6,8-9,11H,2,5,7,10H2,1H3,(H,15,17).
What are the key properties of 3-ethyl-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea?
3-ethyl-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea has a molecular weight of 278.38 g/mol, XLogP of 3.12, 6 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-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 71804220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).