1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)thiourea

C20H26N2OS — CID 100614936

IUPAC1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)thiourea
SMILESCCOc1ccccc1CCCNC(=S)Nc1ccc(CC)cc1
InChIInChI=1S/C20H26N2OS/c1-3-16-11-13-18(14-12-16)22-20(24)21-15-7-9-17-8-5-6-10-19(17)23-4-2/h5-6,8,10-14H,3-4,7,9,15H2,1-2H3,(H2,21,22,24)
InChIKeyGOWDQSZMDQAMMR-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.57
Rot. Bonds8

About 1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)thiourea

1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)thiourea (PubChem CID 100614936) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)thiourea.

Molecular Properties

Compound Name1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)thiourea
PubChem CID100614936
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)thiourea
SMILESCCOc1ccccc1CCCNC(=S)Nc1ccc(CC)cc1
InChIInChI=1S/C20H26N2OS/c1-3-16-11-13-18(14-12-16)22-20(24)21-15-7-9-17-8-5-6-10-19(17)23-4-2/h5-6,8,10-14H,3-4,7,9,15H2,1-2H3,(H2,21,22,24)
InChIKeyGOWDQSZMDQAMMR-UHFFFAOYSA-N
XLogP4.57
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)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-ethoxyphenyl)-3-[3-(2-ethoxyphenyl)propyl]thiourea
CID 100614832
1-(3,4-dimethoxyphenyl)-3-[3-(2-ethoxyphenyl)propyl]thiourea
CID 100614905
1-(1,3-benzodioxol-5-yl)-3-[3-(2-ethoxyphenyl)propyl]thiourea
CID 100615004
1-(3-chloro-4-fluorophenyl)-3-[3-(2-ethoxyphenyl)propyl]thiourea
CID 100615226
1-[3-(2-ethoxyphenyl)propyl]-3-(2-fluorophenyl)thiourea
CID 100614954
1-(4-chlorophenyl)-3-[3-(2-methoxyphenyl)propyl]thiourea
CID 100674620
1-(4-ethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 8658273
1-(2,4-dimethoxyphenyl)-3-[3-(2-ethoxyphenyl)propyl]thiourea
CID 100614857
1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea
CID 44589284
1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112971729
1-(4-ethylphenyl)-3-[3-(4-methylphenyl)propyl]thiourea
CID 100611547
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(2-ethoxyphenyl)ethyl]thiourea
CID 3801056

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)thiourea?
The IUPAC name of 1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)thiourea (CID 100614936) is 1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)thiourea.
What is the SMILES notation for 1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)thiourea?
The canonical SMILES for 1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)thiourea is CCOc1ccccc1CCCNC(=S)Nc1ccc(CC)cc1.
What is the InChIKey of 1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)thiourea?
The InChIKey is GOWDQSZMDQAMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-3-16-11-13-18(14-12-16)22-20(24)21-15-7-9-17-8-5-6-10-19(17)23-4-2/h5-6,8,10-14H,3-4,7,9,15H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)thiourea?
1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)thiourea has a molecular weight of 342.51 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)thiourea is sourced from PubChem (CID 100614936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).