1-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea

C17H20N2O2S — CID 2084266

IUPAC1-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea
SMILESCCNC(=S)Nc1ccccc1Oc1ccc(OCC)cc1
InChIInChI=1S/C17H20N2O2S/c1-3-18-17(22)19-15-7-5-6-8-16(15)21-14-11-9-13(10-12-14)20-4-2/h5-12H,3-4H2,1-2H3,(H2,18,19,22)
InChIKeyUAJBGRDJPPCDAD-UHFFFAOYSA-N
MW316.43 g/mol
LogP4.18
Rot. Bonds6

About 1-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea

1-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea (PubChem CID 2084266) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea
PubChem CID2084266
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea
SMILESCCNC(=S)Nc1ccccc1Oc1ccc(OCC)cc1
InChIInChI=1S/C17H20N2O2S/c1-3-18-17(22)19-15-7-5-6-8-16(15)21-14-11-9-13(10-12-14)20-4-2/h5-12H,3-4H2,1-2H3,(H2,18,19,22)
InChIKeyUAJBGRDJPPCDAD-UHFFFAOYSA-N
XLogP4.18
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-ethoxyphenoxy)phenyl]-3-prop-2-enylthiourea
CID 8660601
1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea
CID 7944422
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
N-[2-(4-ethoxyphenoxy)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78838328
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide
CID 26243693
N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 60567011
N-[2-(4-ethoxyphenoxy)phenyl]-2-thiophen-3-ylacetamide
CID 8002490
N-[2-(4-ethoxyphenoxy)phenyl]-3-phenylmethoxypropanamide
CID 60546146
N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide
CID 18170387
2-amino-N-[2-(4-ethoxyphenoxy)phenyl]pentanamide
CID 119266399
N-[2-(4-ethoxyphenoxy)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037548

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea?
The IUPAC name of 1-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea (CID 2084266) is 1-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea.
What is the SMILES notation for 1-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea?
The canonical SMILES for 1-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea is CCNC(=S)Nc1ccccc1Oc1ccc(OCC)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea?
The InChIKey is UAJBGRDJPPCDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-3-18-17(22)19-15-7-5-6-8-16(15)21-14-11-9-13(10-12-14)20-4-2/h5-12H,3-4H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea?
1-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea has a molecular weight of 316.43 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea is sourced from PubChem (CID 2084266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).