1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea

C16H18N2O2S — CID 86987075

IUPAC1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea
SMILESCSc1ccccc1NC(=O)NCCOc1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-21-15-10-6-5-9-14(15)18-16(19)17-11-12-20-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,17,18,19)
InChIKeyHGYPIBNKMBPOEH-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.61
Rot. Bonds6

About 1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea

1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea (PubChem CID 86987075) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea
PubChem CID86987075
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea
SMILESCSc1ccccc1NC(=O)NCCOc1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-21-15-10-6-5-9-14(15)18-16(19)17-11-12-20-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,17,18,19)
InChIKeyHGYPIBNKMBPOEH-UHFFFAOYSA-N
XLogP3.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfanyl-N-(2-phenoxyethyl)benzamide
CID 26903219
1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea
CID 110890577
1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
N-(2-phenoxyethyl)-2-sulfanylpropanamide
CID 107026809
2-bromo-N-(2-phenoxyethyl)propanamide
CID 82108617
1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea
CID 108887059
1-(4-bromo-2-methylphenyl)-3-(3-phenoxypropyl)urea
CID 108883260
1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea
CID 86862844
1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea
CID 108888842
1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952
1-(2-nitrophenyl)-3-(3-phenoxypropyl)urea
CID 108883021

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea?
The IUPAC name of 1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea (CID 86987075) is 1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea?
The canonical SMILES for 1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea is CSc1ccccc1NC(=O)NCCOc1ccccc1.
What is the InChIKey of 1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea?
The InChIKey is HGYPIBNKMBPOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-21-15-10-6-5-9-14(15)18-16(19)17-11-12-20-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea?
1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea has a molecular weight of 302.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea is sourced from PubChem (CID 86987075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).