1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea

C19H24N2O2S — CID 33389163

IUPAC1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea
SMILESCOCc1ccccc1CNC(=O)NCCCSc1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-23-15-17-9-6-5-8-16(17)14-21-19(22)20-12-7-13-24-18-10-3-2-4-11-18/h2-6,8-11H,7,12-15H2,1H3,(H2,20,21,22)
InChIKeyUROSAWXBDLKVJF-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.81
Rot. Bonds9

About 1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea

1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea (PubChem CID 33389163) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea.

Molecular Properties

Compound Name1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea
PubChem CID33389163
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea
SMILESCOCc1ccccc1CNC(=O)NCCCSc1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-23-15-17-9-6-5-8-16(17)14-21-19(22)20-12-7-13-24-18-10-3-2-4-11-18/h2-6,8-11H,7,12-15H2,1H3,(H2,20,21,22)
InChIKeyUROSAWXBDLKVJF-UHFFFAOYSA-N
XLogP3.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide
CID 38567183
1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111337159
1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea
CID 86999004
1-(4-phenylsulfanylbutyl)-3-propylurea
CID 141077267
3-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 33066011
3-(4-bromophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 55998004
1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 96548923
1-(2-ethyl-2-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110910121
N-(3-methoxypropyl)-3-phenylsulfanylpropanamide
CID 3138314
2-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylacetamide
CID 60924991
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea?
The IUPAC name of 1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea (CID 33389163) is 1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea.
What is the SMILES notation for 1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea?
The canonical SMILES for 1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea is COCc1ccccc1CNC(=O)NCCCSc1ccccc1.
What is the InChIKey of 1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea?
The InChIKey is UROSAWXBDLKVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-23-15-17-9-6-5-8-16(17)14-21-19(22)20-12-7-13-24-18-10-3-2-4-11-18/h2-6,8-11H,7,12-15H2,1H3,(H2,20,21,22).
What are the key properties of 1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea?
1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea has a molecular weight of 344.48 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea is sourced from PubChem (CID 33389163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).