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

C18H24N2O2S — CID 3681428

IUPAC3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea
SMILESCCc1ccccc1NC(=S)N(CCOC)C(C)c1ccco1
InChIInChI=1S/C18H24N2O2S/c1-4-15-8-5-6-9-16(15)19-18(23)20(11-13-21-3)14(2)17-10-7-12-22-17/h5-10,12,14H,4,11,13H2,1-3H3,(H,19,23)
InChIKeyMOARWQGZNJIFLU-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.25
Rot. Bonds7

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

3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea (PubChem CID 3681428) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea
PubChem CID3681428
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea
SMILESCCc1ccccc1NC(=S)N(CCOC)C(C)c1ccco1
InChIInChI=1S/C18H24N2O2S/c1-4-15-8-5-6-9-16(15)19-18(23)20(11-13-21-3)14(2)17-10-7-12-22-17/h5-10,12,14H,4,11,13H2,1-3H3,(H,19,23)
InChIKeyMOARWQGZNJIFLU-UHFFFAOYSA-N
XLogP4.25
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
The IUPAC name of 3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea (CID 3681428) is 3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea.
What is the SMILES notation for 3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
The canonical SMILES for 3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea is CCc1ccccc1NC(=S)N(CCOC)C(C)c1ccco1.
What is the InChIKey of 3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
The InChIKey is MOARWQGZNJIFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-4-15-8-5-6-9-16(15)19-18(23)20(11-13-21-3)14(2)17-10-7-12-22-17/h5-10,12,14H,4,11,13H2,1-3H3,(H,19,23).
What are the key properties of 3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea has a molecular weight of 332.47 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea is sourced from PubChem (CID 3681428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).