1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea

C16H29N3O6SSi — CID 102277551

IUPAC1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea
SMILESCCO[Si](CCCNC(=O)Nc1ccc(S(N)(=O)=O)cc1)(OCC)OCC
InChIInChI=1S/C16H29N3O6SSi/c1-4-23-27(24-5-2,25-6-3)13-7-12-18-16(20)19-14-8-10-15(11-9-14)26(17,21)22/h8-11H,4-7,12-13H2,1-3H3,(H2,17,21,22)(H2,18,19,20)
InChIKeyFRTGYNFSDOZDSU-UHFFFAOYSA-N
MW419.58 g/mol
LogP1.89
Rot. Bonds12

About 1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea

1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea (PubChem CID 102277551) has the molecular formula C16H29N3O6SSi and a molecular weight of 419.58 g/mol. Its IUPAC name is 1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea.

Molecular Properties

Compound Name1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea
PubChem CID102277551
Molecular FormulaC16H29N3O6SSi
Molecular Weight419.58 g/mol
Exact Mass419.15
IUPAC Name1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea
SMILESCCO[Si](CCCNC(=O)Nc1ccc(S(N)(=O)=O)cc1)(OCC)OCC
InChIInChI=1S/C16H29N3O6SSi/c1-4-23-27(24-5-2,25-6-3)13-7-12-18-16(20)19-14-8-10-15(11-9-14)26(17,21)22/h8-11H,4-7,12-13H2,1-3H3,(H2,17,21,22)(H2,18,19,20)
InChIKeyFRTGYNFSDOZDSU-UHFFFAOYSA-N
XLogP1.89
TPSA128.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.58
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)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

2-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]sulfonylacetate
CID 58871446
2-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]sulfonylacetic acid
CID 58871447
4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide
CID 155657712
1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea
CID 108881255
1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25040507
1-[4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]phenyl]-3-(3-triethoxysilylpropyl)urea
CID 59002407
2-methylidene-5-[(4-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 90311544
4-(butylcarbamoylamino)benzenesulfonyl chloride
CID 2757350
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 110293756
1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea
CID 108894310

Frequently Asked Questions

What is the IUPAC name of 1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea?
The IUPAC name of 1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea (CID 102277551) is 1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea.
What is the SMILES notation for 1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea?
The canonical SMILES for 1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea is CCO[Si](CCCNC(=O)Nc1ccc(S(N)(=O)=O)cc1)(OCC)OCC.
What is the InChIKey of 1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea?
The InChIKey is FRTGYNFSDOZDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O6SSi/c1-4-23-27(24-5-2,25-6-3)13-7-12-18-16(20)19-14-8-10-15(11-9-14)26(17,21)22/h8-11H,4-7,12-13H2,1-3H3,(H2,17,21,22)(H2,18,19,20).
What are the key properties of 1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea?
1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea has a molecular weight of 419.58 g/mol, XLogP of 1.89, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea is sourced from PubChem (CID 102277551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).