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

C18H22N2O3S — CID 17298438

IUPAC1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
SMILESCOc1cc(NC(=S)NCCc2ccccc2OC)cc(OC)c1
InChIInChI=1S/C18H22N2O3S/c1-21-15-10-14(11-16(12-15)22-2)20-18(24)19-9-8-13-6-4-5-7-17(13)23-3/h4-7,10-12H,8-9H2,1-3H3,(H2,19,20,24)
InChIKeyUMZZDZXICNCCJH-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.24
Rot. Bonds7

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

1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea (PubChem CID 17298438) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
PubChem CID17298438
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
SMILESCOc1cc(NC(=S)NCCc2ccccc2OC)cc(OC)c1
InChIInChI=1S/C18H22N2O3S/c1-21-15-10-14(11-16(12-15)22-2)20-18(24)19-9-8-13-6-4-5-7-17(13)23-3/h4-7,10-12H,8-9H2,1-3H3,(H2,19,20,24)
InChIKeyUMZZDZXICNCCJH-UHFFFAOYSA-N
XLogP3.24
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 8658273
1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 970948
1-[(2-chlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)thiourea
CID 800738
1-(3,5-dimethoxyphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 3502987
1-[2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)thiourea
CID 19649684
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
1-(4-chlorophenyl)-3-[3-(2-methoxyphenyl)propyl]thiourea
CID 100674620
1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea
CID 19649703
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112975641
1-[2-(2-methoxyphenyl)ethyl]-3-pyrimidin-4-ylthiourea
CID 19703760
1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 22639980
1-[2-(2-chlorophenyl)ethyl]-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea
CID 11188130

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea (CID 17298438) is 1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea is COc1cc(NC(=S)NCCc2ccccc2OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea?
The InChIKey is UMZZDZXICNCCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-21-15-10-14(11-16(12-15)22-2)20-18(24)19-9-8-13-6-4-5-7-17(13)23-3/h4-7,10-12H,8-9H2,1-3H3,(H2,19,20,24).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea?
1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea has a molecular weight of 346.45 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea is sourced from PubChem (CID 17298438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).