1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea

C13H21N3O5S — CID 108894482

IUPAC1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESCOCCOCNC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H21N3O5S/c1-20-8-9-21-10-16-13(17)15-7-6-11-2-4-12(5-3-11)22(14,18)19/h2-5H,6-10H2,1H3,(H2,14,18,19)(H2,15,16,17)
InChIKeyKJIANEGZQFOUQG-UHFFFAOYSA-N
MW331.39 g/mol
LogP-0.20
Rot. Bonds9

About 1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea

1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 108894482) has the molecular formula C13H21N3O5S and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID108894482
Molecular FormulaC13H21N3O5S
Molecular Weight331.39 g/mol
Exact Mass331.12
IUPAC Name1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESCOCCOCNC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H21N3O5S/c1-20-8-9-21-10-16-13(17)15-7-6-11-2-4-12(5-3-11)22(14,18)19/h2-5H,6-10H2,1H3,(H2,14,18,19)(H2,15,16,17)
InChIKeyKJIANEGZQFOUQG-UHFFFAOYSA-N
XLogP-0.20
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 5-0.20
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-[2-(4-bromophenyl)ethyl]-3-(2-methoxyethoxymethyl)urea
CID 108894589
1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea
CID 108894310
1-N'-(2-methoxyethyl)-1-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108972706
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide
CID 114816625
1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108874657
1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51116713
2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113160044
1-(2-methyl-2-phenylpropyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 35664316
1-(3-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51131161

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 108894482) is 1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is COCCOCNC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is KJIANEGZQFOUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5S/c1-20-8-9-21-10-16-13(17)15-7-6-11-2-4-12(5-3-11)22(14,18)19/h2-5H,6-10H2,1H3,(H2,14,18,19)(H2,15,16,17).
What are the key properties of 1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 331.39 g/mol, XLogP of -0.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 108894482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).