1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea

C17H20N2O3S — CID 47032218

IUPAC1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea
SMILESCOc1ccc(OC)c(NC(=O)NCCSc2ccccc2)c1
InChIInChI=1S/C17H20N2O3S/c1-21-13-8-9-16(22-2)15(12-13)19-17(20)18-10-11-23-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyZVHGRCQNANMGLA-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.62
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea

1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea (PubChem CID 47032218) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea
PubChem CID47032218
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea
SMILESCOc1ccc(OC)c(NC(=O)NCCSc2ccccc2)c1
InChIInChI=1S/C17H20N2O3S/c1-21-13-8-9-16(22-2)15(12-13)19-17(20)18-10-11-23-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyZVHGRCQNANMGLA-UHFFFAOYSA-N
XLogP3.62
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 17171312
1-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-methoxyphenyl)urea
CID 27871847
1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 23880823
1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea
CID 47016124
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,5-dimethoxyphenyl)urea
CID 112972775
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303
1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
CID 40636304
1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid
CID 122079532
1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948397
1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 90499727

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea (CID 47032218) is 1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea is COc1ccc(OC)c(NC(=O)NCCSc2ccccc2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea?
The InChIKey is ZVHGRCQNANMGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-21-13-8-9-16(22-2)15(12-13)19-17(20)18-10-11-23-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea?
1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea has a molecular weight of 332.43 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea is sourced from PubChem (CID 47032218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).