1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea

C20H18N2O2S — CID 1288991

IUPAC1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C20H18N2O2S/c1-23-19-9-5-6-16(14-19)22-20(25)21-15-10-12-18(13-11-15)24-17-7-3-2-4-8-17/h2-14H,1H3,(H2,21,22,25)
InChIKeyXZXXQJBIVIOGNK-UHFFFAOYSA-N
MW350.44 g/mol
LogP5.30
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea

1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea (PubChem CID 1288991) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
PubChem CID1288991
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C20H18N2O2S/c1-23-19-9-5-6-16(14-19)22-20(25)21-15-10-12-18(13-11-15)24-17-7-3-2-4-8-17/h2-14H,1H3,(H2,21,22,25)
InChIKeyXZXXQJBIVIOGNK-UHFFFAOYSA-N
XLogP5.30
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.30
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-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea
CID 976451
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
1-(3-bromophenyl)-3-(4-phenoxyphenyl)thiourea
CID 7342651
1-[4-(dimethylamino)phenyl]-3-(3-methoxyphenyl)thiourea
CID 976494
1-(3-chloro-4-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 53489432
[4-(3-methoxyphenoxy)phenyl]thiourea
CID 169356411
1-(5-chloro-2-phenoxyphenyl)-3-(3-methoxyphenyl)thiourea
CID 1290351
1-(3-iodophenyl)-3-(4-methoxyphenyl)thiourea
CID 139202532
N-(3-methoxyphenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712816
1-(4-fluoro-3-methylphenyl)-3-(4-phenoxyphenyl)thiourea
CID 53488596
1-(4-iodo-3-methylphenyl)-3-(3-methoxyphenyl)thiourea
CID 23793872
1-(3-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]thiourea
CID 53488765

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea (CID 1288991) is 1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea is COc1cccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea?
The InChIKey is XZXXQJBIVIOGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-23-19-9-5-6-16(14-19)22-20(25)21-15-10-12-18(13-11-15)24-17-7-3-2-4-8-17/h2-14H,1H3,(H2,21,22,25).
What are the key properties of 1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea?
1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea has a molecular weight of 350.44 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea is sourced from PubChem (CID 1288991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).