1-(2-hydroxy-2-phenylethyl)-3-(2-methoxy-5-phenylphenyl)-1-methylthiourea

C23H24N2O2S — CID 3691776

IUPAC1-(2-hydroxy-2-phenylethyl)-3-(2-methoxy-5-phenylphenyl)-1-methylthiourea
SMILESCOc1ccc(-c2ccccc2)cc1NC(=S)N(C)CC(O)c1ccccc1
InChIInChI=1S/C23H24N2O2S/c1-25(16-21(26)18-11-7-4-8-12-18)23(28)24-20-15-19(13-14-22(20)27-2)17-9-5-3-6-10-17/h3-15,21,26H,16H2,1-2H3,(H,24,28)
InChIKeyCYPULCUEGCSVNB-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.72
Rot. Bonds6

About 1-(2-hydroxy-2-phenylethyl)-3-(2-methoxy-5-phenylphenyl)-1-methylthiourea

1-(2-hydroxy-2-phenylethyl)-3-(2-methoxy-5-phenylphenyl)-1-methylthiourea (PubChem CID 3691776) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylethyl)-3-(2-methoxy-5-phenylphenyl)-1-methylthiourea.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylethyl)-3-(2-methoxy-5-phenylphenyl)-1-methylthiourea
PubChem CID3691776
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name1-(2-hydroxy-2-phenylethyl)-3-(2-methoxy-5-phenylphenyl)-1-methylthiourea
SMILESCOc1ccc(-c2ccccc2)cc1NC(=S)N(C)CC(O)c1ccccc1
InChIInChI=1S/C23H24N2O2S/c1-25(16-21(26)18-11-7-4-8-12-18)23(28)24-20-15-19(13-14-22(20)27-2)17-9-5-3-6-10-17/h3-15,21,26H,16H2,1-2H3,(H,24,28)
InChIKeyCYPULCUEGCSVNB-UHFFFAOYSA-N
XLogP4.72
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.72
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

1,1-bis(2-cyanoethyl)-3-(2-methoxy-5-phenylphenyl)thiourea
CID 5006922
1-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)-1-methylthiourea
CID 23820427
3-(3,4-dichlorophenyl)-1-(2-hydroxy-2-phenylethyl)-1-methylthiourea
CID 23990302
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide
CID 110291255
1-[[1-(hydroxymethyl)cyclobutyl]methyl]-3-(2-methoxy-5-phenylphenyl)-1-methylurea
CID 72940316
(2-ethoxy-5-phenylphenyl)thiourea
CID 169357905
ethyl 3-[(2-methoxy-5-phenylphenyl)carbamothioylamino]butanoate
CID 4994448
5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol
CID 13248722
1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea
CID 2237740
(2-methoxy-5-phenylanilino)azanium chloride
CID 11368724
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-phenylbenzamide
CID 110291119
2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline
CID 2846564

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylethyl)-3-(2-methoxy-5-phenylphenyl)-1-methylthiourea?
The IUPAC name of 1-(2-hydroxy-2-phenylethyl)-3-(2-methoxy-5-phenylphenyl)-1-methylthiourea (CID 3691776) is 1-(2-hydroxy-2-phenylethyl)-3-(2-methoxy-5-phenylphenyl)-1-methylthiourea.
What is the SMILES notation for 1-(2-hydroxy-2-phenylethyl)-3-(2-methoxy-5-phenylphenyl)-1-methylthiourea?
The canonical SMILES for 1-(2-hydroxy-2-phenylethyl)-3-(2-methoxy-5-phenylphenyl)-1-methylthiourea is COc1ccc(-c2ccccc2)cc1NC(=S)N(C)CC(O)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-2-phenylethyl)-3-(2-methoxy-5-phenylphenyl)-1-methylthiourea?
The InChIKey is CYPULCUEGCSVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-25(16-21(26)18-11-7-4-8-12-18)23(28)24-20-15-19(13-14-22(20)27-2)17-9-5-3-6-10-17/h3-15,21,26H,16H2,1-2H3,(H,24,28).
What are the key properties of 1-(2-hydroxy-2-phenylethyl)-3-(2-methoxy-5-phenylphenyl)-1-methylthiourea?
1-(2-hydroxy-2-phenylethyl)-3-(2-methoxy-5-phenylphenyl)-1-methylthiourea has a molecular weight of 392.52 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylethyl)-3-(2-methoxy-5-phenylphenyl)-1-methylthiourea is sourced from PubChem (CID 3691776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).