1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea

C22H22N2O3S — CID 2212546

IUPAC1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C22H22N2O3S/c1-25-19-12-13-20(21(14-19)26-2)24-22(28)23-17-8-10-18(11-9-17)27-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H2,23,24,28)
InChIKeyFZSLITOVSXECPA-UHFFFAOYSA-N
MW394.50 g/mol
LogP5.09
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea

1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea (PubChem CID 2212546) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea
PubChem CID2212546
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C22H22N2O3S/c1-25-19-12-13-20(21(14-19)26-2)24-22(28)23-17-8-10-18(11-9-17)27-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H2,23,24,28)
InChIKeyFZSLITOVSXECPA-UHFFFAOYSA-N
XLogP5.09
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-3-(4-phenylmethoxyphenyl)thiourea
CID 807898
1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 19648747
1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 19680314
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-phenoxypropan-2-yl]thiourea
CID 100750356
1-(3-fluoro-2-methylphenyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 53364886
1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 800539
1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea
CID 23737762
1-(2-methylprop-2-enyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 8619418
N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 2920046
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
1-(4-methoxyphenyl)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 3403328
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea (CID 2212546) is 1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea is COc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea?
The InChIKey is FZSLITOVSXECPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-25-19-12-13-20(21(14-19)26-2)24-22(28)23-17-8-10-18(11-9-17)27-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H2,23,24,28).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea?
1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea has a molecular weight of 394.50 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea is sourced from PubChem (CID 2212546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).