3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea

C19H20N2O3S — CID 4122094

IUPAC3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea
SMILESCCOc1ccc(NC(=S)N(Cc2ccco2)Cc2ccco2)cc1
InChIInChI=1S/C19H20N2O3S/c1-2-22-16-9-7-15(8-10-16)20-19(25)21(13-17-5-3-11-23-17)14-18-6-4-12-24-18/h3-12H,2,13-14H2,1H3,(H,20,25)
InChIKeyCQJHJDHMMILCMV-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.67
Rot. Bonds7

About 3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea

3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea (PubChem CID 4122094) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea
PubChem CID4122094
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea
SMILESCCOc1ccc(NC(=S)N(Cc2ccco2)Cc2ccco2)cc1
InChIInChI=1S/C19H20N2O3S/c1-2-22-16-9-7-15(8-10-16)20-19(25)21(13-17-5-3-11-23-17)14-18-6-4-12-24-18/h3-12H,2,13-14H2,1H3,(H,20,25)
InChIKeyCQJHJDHMMILCMV-UHFFFAOYSA-N
XLogP4.67
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-[(4-methylphenyl)methyl]thiourea
CID 4089065
1-(cyclohex-3-en-1-ylmethyl)-3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)thiourea
CID 4983578
3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea
CID 4129027
1-[(4-tert-butylphenyl)methyl]-1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)thiourea
CID 4061729
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)thiourea
CID 8683014
3-(4-bromophenyl)-1-[(4-ethylphenyl)methyl]-1-(furan-2-ylmethyl)thiourea
CID 4592206
1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea
CID 7944393
3-(4-ethoxyphenyl)-1,1-bis(2-hydroxyethyl)thiourea
CID 23855801
3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 7954747
1-[2-(azepan-1-ium-1-yl)ethyl]-1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)thiourea
CID 4275858
1-[(2,5-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)-1-(furan-2-ylmethyl)thiourea
CID 4299821
3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-(1-thiophen-2-ylethyl)urea
CID 5195902

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea?
The IUPAC name of 3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea (CID 4122094) is 3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea?
The canonical SMILES for 3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea is CCOc1ccc(NC(=S)N(Cc2ccco2)Cc2ccco2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea?
The InChIKey is CQJHJDHMMILCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-2-22-16-9-7-15(8-10-16)20-19(25)21(13-17-5-3-11-23-17)14-18-6-4-12-24-18/h3-12H,2,13-14H2,1H3,(H,20,25).
What are the key properties of 3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea?
3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea has a molecular weight of 356.45 g/mol, XLogP of 4.67, 7 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-bis(furan-2-ylmethyl)thiourea is sourced from PubChem (CID 4122094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).