1-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)thiourea

C17H20N2O3S — CID 8680445

IUPAC1-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)NCCOc2ccccc2OC)cc1
InChIInChI=1S/C17H20N2O3S/c1-20-14-9-7-13(8-10-14)19-17(23)18-11-12-22-16-6-4-3-5-15(16)21-2/h3-10H,11-12H2,1-2H3,(H2,18,19,23)
InChIKeyKUVPHWHGDWREDE-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.07
Rot. Bonds7

About 1-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)thiourea

1-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)thiourea (PubChem CID 8680445) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)thiourea
PubChem CID8680445
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)NCCOc2ccccc2OC)cc1
InChIInChI=1S/C17H20N2O3S/c1-20-14-9-7-13(8-10-14)19-17(23)18-11-12-22-16-6-4-3-5-15(16)21-2/h3-10H,11-12H2,1-2H3,(H2,18,19,23)
InChIKeyKUVPHWHGDWREDE-UHFFFAOYSA-N
XLogP3.07
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 5-[2-(2-methoxyphenoxy)ethylcarbamothioylamino]benzene-1,3-dicarboxylate
CID 17322094
1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea
CID 17322071
1-(4-ethoxyphenyl)-3-(2-phenoxyethyl)thiourea
CID 8684433
1-[2-(2-chlorophenoxy)ethyl]-3-(4-methylphenyl)thiourea
CID 100749748
1-(4-ethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 8658273
1-[2-(2-chlorophenoxy)ethyl]-3-(2,4-dimethoxyphenyl)thiourea
CID 100749820
1-(3-hydroxypropyl)-3-(4-methoxyphenyl)thiourea
CID 2285324
1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea
CID 4592854
1-[2-(2-chlorophenoxy)ethyl]-3-(4-fluorophenyl)thiourea
CID 100749849
4-[[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoacetyl]amino]benzoic acid
CID 52901811
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)thiourea
CID 3659335

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)thiourea?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)thiourea (CID 8680445) is 1-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)thiourea?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)thiourea is COc1ccc(NC(=S)NCCOc2ccccc2OC)cc1.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)thiourea?
The InChIKey is KUVPHWHGDWREDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-20-14-9-7-13(8-10-14)19-17(23)18-11-12-22-16-6-4-3-5-15(16)21-2/h3-10H,11-12H2,1-2H3,(H2,18,19,23).
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)thiourea?
1-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)thiourea has a molecular weight of 332.43 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)thiourea is sourced from PubChem (CID 8680445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).