1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea

C18H22N2O2S — CID 17322071

IUPAC1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea
SMILESCCc1ccccc1NC(=S)NCCOc1ccccc1OC
InChIInChI=1S/C18H22N2O2S/c1-3-14-8-4-5-9-15(14)20-18(23)19-12-13-22-17-11-7-6-10-16(17)21-2/h4-11H,3,12-13H2,1-2H3,(H2,19,20,23)
InChIKeyFIIDTSYKCPFWPX-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.62
Rot. Bonds7

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

1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea (PubChem CID 17322071) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea
PubChem CID17322071
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea
SMILESCCc1ccccc1NC(=S)NCCOc1ccccc1OC
InChIInChI=1S/C18H22N2O2S/c1-3-14-8-4-5-9-15(14)20-18(23)19-12-13-22-17-11-7-6-10-16(17)21-2/h4-11H,3,12-13H2,1-2H3,(H2,19,20,23)
InChIKeyFIIDTSYKCPFWPX-UHFFFAOYSA-N
XLogP3.62
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)thiourea
CID 8680445
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
dimethyl 5-[2-(2-methoxyphenoxy)ethylcarbamothioylamino]benzene-1,3-dicarboxylate
CID 17322094
2-(2-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 44669949
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylphenyl)urea
CID 112971428
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea
CID 115579636
1-(2-ethylphenyl)-3-nonylthiourea
CID 19651096
1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112971460
1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971443
N'-(2-ethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108530359

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea?
The IUPAC name of 1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea (CID 17322071) is 1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea is CCc1ccccc1NC(=S)NCCOc1ccccc1OC.
What is the InChIKey of 1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea?
The InChIKey is FIIDTSYKCPFWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-14-8-4-5-9-15(14)20-18(23)19-12-13-22-17-11-7-6-10-16(17)21-2/h4-11H,3,12-13H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea?
1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea has a molecular weight of 330.45 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea is sourced from PubChem (CID 17322071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).