1-(2-methoxydibenzofuran-3-yl)-3-(4-phenoxyphenyl)thiourea

C26H20N2O3S — CID 23823921

IUPAC1-(2-methoxydibenzofuran-3-yl)-3-(4-phenoxyphenyl)thiourea
SMILESCOc1cc2c(cc1NC(=S)Nc1ccc(Oc3ccccc3)cc1)oc1ccccc12
InChIInChI=1S/C26H20N2O3S/c1-29-25-15-21-20-9-5-6-10-23(20)31-24(21)16-22(25)28-26(32)27-17-11-13-19(14-12-17)30-18-7-3-2-4-8-18/h2-16H,1H3,(H2,27,28,32)
InChIKeyANZFQNJURNLTEE-UHFFFAOYSA-N
MW440.52 g/mol
LogP7.20
Rot. Bonds5

About 1-(2-methoxydibenzofuran-3-yl)-3-(4-phenoxyphenyl)thiourea

1-(2-methoxydibenzofuran-3-yl)-3-(4-phenoxyphenyl)thiourea (PubChem CID 23823921) has the molecular formula C26H20N2O3S and a molecular weight of 440.52 g/mol. Its IUPAC name is 1-(2-methoxydibenzofuran-3-yl)-3-(4-phenoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxydibenzofuran-3-yl)-3-(4-phenoxyphenyl)thiourea
PubChem CID23823921
Molecular FormulaC26H20N2O3S
Molecular Weight440.52 g/mol
Exact Mass440.12
IUPAC Name1-(2-methoxydibenzofuran-3-yl)-3-(4-phenoxyphenyl)thiourea
SMILESCOc1cc2c(cc1NC(=S)Nc1ccc(Oc3ccccc3)cc1)oc1ccccc12
InChIInChI=1S/C26H20N2O3S/c1-29-25-15-21-20-9-5-6-10-23(20)31-24(21)16-22(25)28-26(32)27-17-11-13-19(14-12-17)30-18-7-3-2-4-8-18/h2-16H,1H3,(H2,27,28,32)
InChIKeyANZFQNJURNLTEE-UHFFFAOYSA-N
XLogP7.20
TPSA55.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.52
LogP ≤ 57.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethylphenyl)-3-(2-methoxydibenzofuran-3-yl)thiourea
CID 17267872
3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide
CID 3762695
2-(4-acetamidophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4805328
3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(2-phenoxyethyl)urea
CID 55696611
methyl 5-benzyl-2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]thiophene-3-carboxylate
CID 19677632
1-(2-methoxydibenzofuran-3-yl)-3-(3-methylsulfanylpropyl)thiourea
CID 8627344
2,4-dimethoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 2884928
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-methoxydibenzofuran-3-yl)thiourea
CID 11919267
1-(3-chloro-4-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 53489432
1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 1288991
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxydibenzofuran-3-yl)-3-(4-phenoxyphenyl)thiourea?
The IUPAC name of 1-(2-methoxydibenzofuran-3-yl)-3-(4-phenoxyphenyl)thiourea (CID 23823921) is 1-(2-methoxydibenzofuran-3-yl)-3-(4-phenoxyphenyl)thiourea.
What is the SMILES notation for 1-(2-methoxydibenzofuran-3-yl)-3-(4-phenoxyphenyl)thiourea?
The canonical SMILES for 1-(2-methoxydibenzofuran-3-yl)-3-(4-phenoxyphenyl)thiourea is COc1cc2c(cc1NC(=S)Nc1ccc(Oc3ccccc3)cc1)oc1ccccc12.
What is the InChIKey of 1-(2-methoxydibenzofuran-3-yl)-3-(4-phenoxyphenyl)thiourea?
The InChIKey is ANZFQNJURNLTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3S/c1-29-25-15-21-20-9-5-6-10-23(20)31-24(21)16-22(25)28-26(32)27-17-11-13-19(14-12-17)30-18-7-3-2-4-8-18/h2-16H,1H3,(H2,27,28,32).
What are the key properties of 1-(2-methoxydibenzofuran-3-yl)-3-(4-phenoxyphenyl)thiourea?
1-(2-methoxydibenzofuran-3-yl)-3-(4-phenoxyphenyl)thiourea has a molecular weight of 440.52 g/mol, XLogP of 7.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxydibenzofuran-3-yl)-3-(4-phenoxyphenyl)thiourea is sourced from PubChem (CID 23823921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).