1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea

C20H20N2O3S — CID 7944393

IUPAC1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea
SMILESCCOc1ccc(Oc2ccc(NC(=S)NCc3ccco3)cc2)cc1
InChIInChI=1S/C20H20N2O3S/c1-2-23-16-9-11-18(12-10-16)25-17-7-5-15(6-8-17)22-20(26)21-14-19-4-3-13-24-19/h3-13H,2,14H2,1H3,(H2,21,22,26)
InChIKeySVRBOUXTHVLKAP-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.96
Rot. Bonds7

About 1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea

1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea (PubChem CID 7944393) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea
PubChem CID7944393
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea
SMILESCCOc1ccc(Oc2ccc(NC(=S)NCc3ccco3)cc2)cc1
InChIInChI=1S/C20H20N2O3S/c1-2-23-16-9-11-18(12-10-16)25-17-7-5-15(6-8-17)22-20(26)21-14-19-4-3-13-24-19/h3-13H,2,14H2,1H3,(H2,21,22,26)
InChIKeySVRBOUXTHVLKAP-UHFFFAOYSA-N
XLogP4.96
TPSA55.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-ethoxyphenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 18274591
N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide
CID 26242410
1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea
CID 8564804
3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea
CID 4122094
1-(4-ethoxyphenyl)-3-[(1R)-1-(furan-2-yl)ethyl]thiourea
CID 8599987
N'-(4-ethoxyphenyl)-N-[2-(furan-2-yl)ethyl]oxamide
CID 7584904
(1R,2R,3R,4S)-3-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 1375072
(1R,2R,3S,4S)-3-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 6970033
N-(furan-2-ylmethyl)-4-[(4-propoxybenzoyl)carbamothioylamino]benzamide
CID 28638586
4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide
CID 8628684
5-N-(4-ethoxyphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104924
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea?
The IUPAC name of 1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea (CID 7944393) is 1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea.
What is the SMILES notation for 1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea?
The canonical SMILES for 1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea is CCOc1ccc(Oc2ccc(NC(=S)NCc3ccco3)cc2)cc1.
What is the InChIKey of 1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea?
The InChIKey is SVRBOUXTHVLKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-2-23-16-9-11-18(12-10-16)25-17-7-5-15(6-8-17)22-20(26)21-14-19-4-3-13-24-19/h3-13H,2,14H2,1H3,(H2,21,22,26).
What are the key properties of 1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea?
1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea has a molecular weight of 368.46 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea is sourced from PubChem (CID 7944393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).