1-[2-(4-ethoxyphenoxy)phenyl]-3-prop-2-enylthiourea

C18H20N2O2S — CID 8660601

IUPAC1-[2-(4-ethoxyphenoxy)phenyl]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1ccccc1Oc1ccc(OCC)cc1
InChIInChI=1S/C18H20N2O2S/c1-3-13-19-18(23)20-16-7-5-6-8-17(16)22-15-11-9-14(10-12-15)21-4-2/h3,5-12H,1,4,13H2,2H3,(H2,19,20,23)
InChIKeySSHYTLGSWHRBQT-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.35
Rot. Bonds7

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

1-[2-(4-ethoxyphenoxy)phenyl]-3-prop-2-enylthiourea (PubChem CID 8660601) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenoxy)phenyl]-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenoxy)phenyl]-3-prop-2-enylthiourea
PubChem CID8660601
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name1-[2-(4-ethoxyphenoxy)phenyl]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1ccccc1Oc1ccc(OCC)cc1
InChIInChI=1S/C18H20N2O2S/c1-3-13-19-18(23)20-16-7-5-6-8-17(16)22-15-11-9-14(10-12-15)21-4-2/h3,5-12H,1,4,13H2,2H3,(H2,19,20,23)
InChIKeySSHYTLGSWHRBQT-UHFFFAOYSA-N
XLogP4.35
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(4-ethoxyphenoxy)phenyl]-3-prop-2-enylthiourea 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-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea
CID 2084266
1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea
CID 7944422
1-prop-2-enyl-3-[4-[4-(prop-2-enylcarbamothioylamino)phenoxy]phenyl]thiourea
CID 8620453
N-[2-(4-ethoxyphenoxy)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78838328
2-[(2-ethoxybenzoyl)carbamothioylamino]-N-prop-2-enylbenzamide
CID 4926903
4-acetamido-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 26243690
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
1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3927035
N-[2-(4-ethoxyphenoxy)phenyl]-2-thiophen-3-ylacetamide
CID 8002490
1-[4-(2-methoxyethoxy)phenyl]-3-prop-2-enylthiourea
CID 26169463

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenoxy)phenyl]-3-prop-2-enylthiourea?
The IUPAC name of 1-[2-(4-ethoxyphenoxy)phenyl]-3-prop-2-enylthiourea (CID 8660601) is 1-[2-(4-ethoxyphenoxy)phenyl]-3-prop-2-enylthiourea.
What is the SMILES notation for 1-[2-(4-ethoxyphenoxy)phenyl]-3-prop-2-enylthiourea?
The canonical SMILES for 1-[2-(4-ethoxyphenoxy)phenyl]-3-prop-2-enylthiourea is C=CCNC(=S)Nc1ccccc1Oc1ccc(OCC)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenoxy)phenyl]-3-prop-2-enylthiourea?
The InChIKey is SSHYTLGSWHRBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-13-19-18(23)20-16-7-5-6-8-17(16)22-15-11-9-14(10-12-15)21-4-2/h3,5-12H,1,4,13H2,2H3,(H2,19,20,23).
What are the key properties of 1-[2-(4-ethoxyphenoxy)phenyl]-3-prop-2-enylthiourea?
1-[2-(4-ethoxyphenoxy)phenyl]-3-prop-2-enylthiourea has a molecular weight of 328.44 g/mol, XLogP of 4.35, 7 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-prop-2-enylthiourea is sourced from PubChem (CID 8660601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).