3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea

C18H24N2O3S — CID 3681418

IUPAC3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea
SMILESCCOc1ccc(NC(=S)N(CCOC)C(C)c2ccco2)cc1
InChIInChI=1S/C18H24N2O3S/c1-4-22-16-9-7-15(8-10-16)19-18(24)20(11-13-21-3)14(2)17-6-5-12-23-17/h5-10,12,14H,4,11,13H2,1-3H3,(H,19,24)
InChIKeyPUGWOLVWGHNOPN-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.08
Rot. Bonds8

About 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea

3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea (PubChem CID 3681418) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea
PubChem CID3681418
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea
SMILESCCOc1ccc(NC(=S)N(CCOC)C(C)c2ccco2)cc1
InChIInChI=1S/C18H24N2O3S/c1-4-22-16-9-7-15(8-10-16)19-18(24)20(11-13-21-3)14(2)17-6-5-12-23-17/h5-10,12,14H,4,11,13H2,1-3H3,(H,19,24)
InChIKeyPUGWOLVWGHNOPN-UHFFFAOYSA-N
XLogP4.08
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
The IUPAC name of 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea (CID 3681418) is 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea is CCOc1ccc(NC(=S)N(CCOC)C(C)c2ccco2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
The InChIKey is PUGWOLVWGHNOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-4-22-16-9-7-15(8-10-16)19-18(24)20(11-13-21-3)14(2)17-6-5-12-23-17/h5-10,12,14H,4,11,13H2,1-3H3,(H,19,24).
What are the key properties of 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea has a molecular weight of 348.47 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea is sourced from PubChem (CID 3681418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).