1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea

C11H17N3O5S — CID 108894310

IUPAC1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea
SMILESCOCCOCNC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O5S/c1-18-6-7-19-8-13-11(15)14-9-2-4-10(5-3-9)20(12,16)17/h2-5H,6-8H2,1H3,(H2,12,16,17)(H2,13,14,15)
InChIKeyOXGHZTWWARJVIE-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.08
Rot. Bonds7

About 1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea

1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 108894310) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea
PubChem CID108894310
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea
SMILESCOCCOCNC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O5S/c1-18-6-7-19-8-13-11(15)14-9-2-4-10(5-3-9)20(12,16)17/h2-5H,6-8H2,1H3,(H2,12,16,17)(H2,13,14,15)
InChIKeyOXGHZTWWARJVIE-UHFFFAOYSA-N
XLogP0.08
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894240
1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108894482
1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894361
1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea
CID 146027008
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-[(2,3-dimethylphenoxy)methyl]-3-(4-sulfamoylphenyl)urea
CID 108878284
1-(3-methoxypropyl)-3-(4-methylsulfonylphenyl)urea
CID 47197998
1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea
CID 108894459
2-[(4-sulfamoylphenyl)carbamoylamino]ethyl prop-2-enoate
CID 67140737
1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea
CID 108881255
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea (CID 108894310) is 1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea is COCCOCNC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is OXGHZTWWARJVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-18-6-7-19-8-13-11(15)14-9-2-4-10(5-3-9)20(12,16)17/h2-5H,6-8H2,1H3,(H2,12,16,17)(H2,13,14,15).
What are the key properties of 1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea?
1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 303.34 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 108894310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).