1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea

C20H18N2O2S — CID 108888842

IUPAC1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea
SMILESO=C(NCOc1ccccc1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H18N2O2S/c23-20(21-15-24-16-9-3-1-4-10-16)22-18-13-7-8-14-19(18)25-17-11-5-2-6-12-17/h1-14H,15H2,(H2,21,22,23)
InChIKeyLOABIWHKVGYFPP-UHFFFAOYSA-N
MW350.44 g/mol
LogP5.00
Rot. Bonds6

About 1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea

1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea (PubChem CID 108888842) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea
PubChem CID108888842
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea
SMILESO=C(NCOc1ccccc1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H18N2O2S/c23-20(21-15-24-16-9-3-1-4-10-16)22-18-13-7-8-14-19(18)25-17-11-5-2-6-12-17/h1-14H,15H2,(H2,21,22,23)
InChIKeyLOABIWHKVGYFPP-UHFFFAOYSA-N
XLogP5.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenyl)-3-(phenoxymethyl)urea
CID 108888745
1-[(2-bromophenyl)methyl]-3-(2-phenylsulfanylphenyl)urea
CID 108897858
1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108888843
1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea
CID 108888756
1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea
CID 86987075
1-[2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea
CID 108899866
1-pentan-3-yl-3-(2-phenylsulfanylphenyl)urea
CID 108888275
2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide
CID 4053686
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 17298814
1-(3,5-dimethoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 108869420
ethyl [4-[(2-phenylsulfanylphenyl)carbamoylamino]phenyl] carbonate
CID 108865530

Frequently Asked Questions

What is the IUPAC name of 1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea?
The IUPAC name of 1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea (CID 108888842) is 1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea.
What is the SMILES notation for 1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea?
The canonical SMILES for 1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea is O=C(NCOc1ccccc1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea?
The InChIKey is LOABIWHKVGYFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c23-20(21-15-24-16-9-3-1-4-10-16)22-18-13-7-8-14-19(18)25-17-11-5-2-6-12-17/h1-14H,15H2,(H2,21,22,23).
What are the key properties of 1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea?
1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea has a molecular weight of 350.44 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea is sourced from PubChem (CID 108888842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).