1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea

C17H20N2O2S — CID 797368

IUPAC1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
SMILESCOc1ccc(CCNC(=S)Nc2ccccc2OC)cc1
InChIInChI=1S/C17H20N2O2S/c1-20-14-9-7-13(8-10-14)11-12-18-17(22)19-15-5-3-4-6-16(15)21-2/h3-10H,11-12H2,1-2H3,(H2,18,19,22)
InChIKeyVWBDAZIYJRNTCQ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.23
Rot. Bonds6

About 1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea

1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea (PubChem CID 797368) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
PubChem CID797368
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
SMILESCOc1ccc(CCNC(=S)Nc2ccccc2OC)cc1
InChIInChI=1S/C17H20N2O2S/c1-20-14-9-7-13(8-10-14)11-12-18-17(22)19-15-5-3-4-6-16(15)21-2/h3-10H,11-12H2,1-2H3,(H2,18,19,22)
InChIKeyVWBDAZIYJRNTCQ-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
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-methoxy-5-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 19649928
1-(5-hydroxynaphthalen-1-yl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 18204601
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 971052
N-[2-(4-methoxyphenyl)ethyl]benzenecarbothioamide
CID 18891957
1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 43384732
1-[2-(4-methoxyphenyl)ethyl]-3-[[3-[[2-(4-methoxyphenyl)ethylcarbamothioylamino]methyl]phenyl]methyl]thiourea
CID 16553986
N-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide
CID 4266550
1-(3-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 886944
1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111024071
1-(2-methoxyphenyl)-3-[1-[(2-methoxyphenyl)carbamothioylamino]pentan-3-yl]thiourea
CID 4536659
methyl 3-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-4-methylbenzoate
CID 92512411

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea (CID 797368) is 1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea is COc1ccc(CCNC(=S)Nc2ccccc2OC)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea?
The InChIKey is VWBDAZIYJRNTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-20-14-9-7-13(8-10-14)11-12-18-17(22)19-15-5-3-4-6-16(15)21-2/h3-10H,11-12H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea?
1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea has a molecular weight of 316.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea is sourced from PubChem (CID 797368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).