1-[2-(2-chlorophenyl)ethyl]-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea

C19H23ClN2O2S — CID 11188130

IUPAC1-[2-(2-chlorophenyl)ethyl]-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea
SMILESCOc1ccc(OC)c(CCNC(=S)NCCc2ccccc2Cl)c1
InChIInChI=1S/C19H23ClN2O2S/c1-23-16-7-8-18(24-2)15(13-16)10-12-22-19(25)21-11-9-14-5-3-4-6-17(14)20/h3-8,13H,9-12H2,1-2H3,(H2,21,22,25)
InChIKeyZYRPQKPEIMZEJF-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.61
Rot. Bonds8

About 1-[2-(2-chlorophenyl)ethyl]-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea

1-[2-(2-chlorophenyl)ethyl]-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea (PubChem CID 11188130) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea
PubChem CID11188130
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea
SMILESCOc1ccc(OC)c(CCNC(=S)NCCc2ccccc2Cl)c1
InChIInChI=1S/C19H23ClN2O2S/c1-23-16-7-8-18(24-2)15(13-16)10-12-22-19(25)21-11-9-14-5-3-4-6-17(14)20/h3-8,13H,9-12H2,1-2H3,(H2,21,22,25)
InChIKeyZYRPQKPEIMZEJF-UHFFFAOYSA-N
XLogP3.61
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_A(5)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,5-dimethoxyphenyl)ethyl]-3-[(4-phenylphenyl)sulfonylamino]thiourea
CID 3860355
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 22742653
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 121230760
1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 17298438
1-[3-(2-chlorophenyl)propyl]-3-(3-methoxyphenyl)thiourea
CID 100671376
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 22691311
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108897450
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764
1-[2-(2-chlorophenyl)ethyl]-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethylguanidine;hydroiodide
CID 111999070
1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea
CID 19649703
1-[2-(2,5-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 111170415
2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide
CID 110407843

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea (CID 11188130) is 1-[2-(2-chlorophenyl)ethyl]-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea is COc1ccc(OC)c(CCNC(=S)NCCc2ccccc2Cl)c1.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea?
The InChIKey is ZYRPQKPEIMZEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-23-16-7-8-18(24-2)15(13-16)10-12-22-19(25)21-11-9-14-5-3-4-6-17(14)20/h3-8,13H,9-12H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea?
1-[2-(2-chlorophenyl)ethyl]-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea has a molecular weight of 378.93 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea is sourced from PubChem (CID 11188130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).