1-(2-ethoxyphenyl)-3-(4-sulfamoylphenyl)thiourea

C15H17N3O3S2 — CID 2204716

IUPAC1-(2-ethoxyphenyl)-3-(4-sulfamoylphenyl)thiourea
SMILESCCOc1ccccc1NC(=S)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H17N3O3S2/c1-2-21-14-6-4-3-5-13(14)18-15(22)17-11-7-9-12(10-8-11)23(16,19)20/h3-10H,2H2,1H3,(H2,16,19,20)(H2,17,18,22)
InChIKeyGIUYDMLIDDBHDC-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.54
Rot. Bonds5

About 1-(2-ethoxyphenyl)-3-(4-sulfamoylphenyl)thiourea

1-(2-ethoxyphenyl)-3-(4-sulfamoylphenyl)thiourea (PubChem CID 2204716) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(4-sulfamoylphenyl)thiourea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(4-sulfamoylphenyl)thiourea
PubChem CID2204716
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name1-(2-ethoxyphenyl)-3-(4-sulfamoylphenyl)thiourea
SMILESCCOc1ccccc1NC(=S)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H17N3O3S2/c1-2-21-14-6-4-3-5-13(14)18-15(22)17-11-7-9-12(10-8-11)23(16,19)20/h3-10H,2H2,1H3,(H2,16,19,20)(H2,17,18,22)
InChIKeyGIUYDMLIDDBHDC-UHFFFAOYSA-N
XLogP2.54
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyphenyl)-3-(4-sulfamoylphenyl)thiourea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(4-sulfamoylphenyl)thiourea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(4-sulfamoylphenyl)thiourea (CID 2204716) is 1-(2-ethoxyphenyl)-3-(4-sulfamoylphenyl)thiourea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(4-sulfamoylphenyl)thiourea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(4-sulfamoylphenyl)thiourea is CCOc1ccccc1NC(=S)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(4-sulfamoylphenyl)thiourea?
The InChIKey is GIUYDMLIDDBHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-2-21-14-6-4-3-5-13(14)18-15(22)17-11-7-9-12(10-8-11)23(16,19)20/h3-10H,2H2,1H3,(H2,16,19,20)(H2,17,18,22).
What are the key properties of 1-(2-ethoxyphenyl)-3-(4-sulfamoylphenyl)thiourea?
1-(2-ethoxyphenyl)-3-(4-sulfamoylphenyl)thiourea has a molecular weight of 351.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(4-sulfamoylphenyl)thiourea is sourced from PubChem (CID 2204716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).