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

C18H20N2O2S — CID 970948

IUPAC1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
SMILESCOc1ccccc1CCNC(=S)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C18H20N2O2S/c1-13(21)15-7-5-8-16(12-15)20-18(23)19-11-10-14-6-3-4-9-17(14)22-2/h3-9,12H,10-11H2,1-2H3,(H2,19,20,23)
InChIKeyCHRREYIKZKVHHA-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.43
Rot. Bonds6

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

1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea (PubChem CID 970948) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
PubChem CID970948
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
SMILESCOc1ccccc1CCNC(=S)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C18H20N2O2S/c1-13(21)15-7-5-8-16(12-15)20-18(23)19-11-10-14-6-3-4-9-17(14)22-2/h3-9,12H,10-11H2,1-2H3,(H2,19,20,23)
InChIKeyCHRREYIKZKVHHA-UHFFFAOYSA-N
XLogP3.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.43
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-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)thiourea
CID 19649684
1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 17298438
methyl 3-[(2-methoxyphenyl)methylcarbamothioylamino]benzoate
CID 100591236
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
N'-(4-acetylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 86995908
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylphenyl)urea
CID 6464688
1-(3-acetylphenyl)-3-propylthiourea
CID 8626664
1-(4-acetylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 19649551
N-(3-acetylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172828
methyl 3-[3-(2-propoxyphenyl)propylcarbamothioylamino]benzoate
CID 100702870
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 17087569

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea?
The IUPAC name of 1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea (CID 970948) is 1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea is COc1ccccc1CCNC(=S)Nc1cccc(C(C)=O)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea?
The InChIKey is CHRREYIKZKVHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13(21)15-7-5-8-16(12-15)20-18(23)19-11-10-14-6-3-4-9-17(14)22-2/h3-9,12H,10-11H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea?
1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea has a molecular weight of 328.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea is sourced from PubChem (CID 970948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).