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

C20H22N2O2S — CID 71804139

IUPAC1-(furan-3-ylmethyl)-3-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCCc1ccccc1)N(Cc1ccoc1)Cc1cccs1
InChIInChI=1S/C20H22N2O2S/c23-20(21-11-4-8-17-6-2-1-3-7-17)22(14-18-10-12-24-16-18)15-19-9-5-13-25-19/h1-3,5-7,9-10,12-13,16H,4,8,11,14-15H2,(H,21,23)
InChIKeyLGMHGBZQIPZQOV-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.69
Rot. Bonds8

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

1-(furan-3-ylmethyl)-3-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 71804139) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)urea
PubChem CID71804139
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name1-(furan-3-ylmethyl)-3-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCCc1ccccc1)N(Cc1ccoc1)Cc1cccs1
InChIInChI=1S/C20H22N2O2S/c23-20(21-11-4-8-17-6-2-1-3-7-17)22(14-18-10-12-24-16-18)15-19-9-5-13-25-19/h1-3,5-7,9-10,12-13,16H,4,8,11,14-15H2,(H,21,23)
InChIKeyLGMHGBZQIPZQOV-UHFFFAOYSA-N
XLogP4.69
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(furan-3-ylmethyl)-3-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)urea (CID 71804139) is 1-(furan-3-ylmethyl)-3-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)urea is O=C(NCCCc1ccccc1)N(Cc1ccoc1)Cc1cccs1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is LGMHGBZQIPZQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c23-20(21-11-4-8-17-6-2-1-3-7-17)22(14-18-10-12-24-16-18)15-19-9-5-13-25-19/h1-3,5-7,9-10,12-13,16H,4,8,11,14-15H2,(H,21,23).
What are the key properties of 1-(furan-3-ylmethyl)-3-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)urea?
1-(furan-3-ylmethyl)-3-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 354.48 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71804139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).