3-(4-ethylphenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea

C23H24N2O2S — CID 8679563

IUPAC3-(4-ethylphenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea
SMILESCCc1ccc(NC(=S)N(Cc2ccccc2O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O2S/c1-3-17-8-10-19(11-9-17)24-23(28)25(16-18-6-4-5-7-22(18)26)20-12-14-21(27-2)15-13-20/h4-15,26H,3,16H2,1-2H3,(H,24,28)
InChIKeyWWRPKOWPYCGPFL-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.37
Rot. Bonds6

About 3-(4-ethylphenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea

3-(4-ethylphenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea (PubChem CID 8679563) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea
PubChem CID8679563
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name3-(4-ethylphenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea
SMILESCCc1ccc(NC(=S)N(Cc2ccccc2O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O2S/c1-3-17-8-10-19(11-9-17)24-23(28)25(16-18-6-4-5-7-22(18)26)20-12-14-21(27-2)15-13-20/h4-15,26H,3,16H2,1-2H3,(H,24,28)
InChIKeyWWRPKOWPYCGPFL-UHFFFAOYSA-N
XLogP5.37
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)-3-propylthiourea
CID 18289208
1-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]thiourea
CID 8679571
1-[[4-(diethylamino)phenyl]methyl]-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]thiourea
CID 4169463
1-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]thiourea
CID 4687198
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide
CID 46045773
3-(4-ethylphenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]thiourea
CID 1171804
1-(4-methoxyphenyl)-1-methyl-3-phenylthiourea
CID 116508176
3-(4-chlorophenyl)-1,1-bis[(4-methoxyphenyl)methyl]thiourea
CID 4161356
1-[(4-ethoxyphenyl)methyl]-3-(4-ethylphenyl)-1-methylthiourea
CID 8680251
1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-methylthiourea
CID 8679384
3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-propylthiourea
CID 9217139
1-(1H-indol-3-ylmethyl)-3-(4-methoxyphenyl)-1-propan-2-ylthiourea
CID 53206704

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea?
The IUPAC name of 3-(4-ethylphenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea (CID 8679563) is 3-(4-ethylphenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea.
What is the SMILES notation for 3-(4-ethylphenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea?
The canonical SMILES for 3-(4-ethylphenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea is CCc1ccc(NC(=S)N(Cc2ccccc2O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea?
The InChIKey is WWRPKOWPYCGPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-3-17-8-10-19(11-9-17)24-23(28)25(16-18-6-4-5-7-22(18)26)20-12-14-21(27-2)15-13-20/h4-15,26H,3,16H2,1-2H3,(H,24,28).
What are the key properties of 3-(4-ethylphenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea?
3-(4-ethylphenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea has a molecular weight of 392.52 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea is sourced from PubChem (CID 8679563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).