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

C15H17N3O2S2 — CID 892618

IUPAC1-(2-phenylethyl)-3-(4-sulfamoylphenyl)thiourea
SMILESNS(=O)(=O)c1ccc(NC(=S)NCCc2ccccc2)cc1
InChIInChI=1S/C15H17N3O2S2/c16-22(19,20)14-8-6-13(7-9-14)18-15(21)17-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,16,19,20)(H2,17,18,21)
InChIKeyWIAKAMSWLJQWOR-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.86
Rot. Bonds5

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

1-(2-phenylethyl)-3-(4-sulfamoylphenyl)thiourea (PubChem CID 892618) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-(4-sulfamoylphenyl)thiourea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-(4-sulfamoylphenyl)thiourea
PubChem CID892618
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC Name1-(2-phenylethyl)-3-(4-sulfamoylphenyl)thiourea
SMILESNS(=O)(=O)c1ccc(NC(=S)NCCc2ccccc2)cc1
InChIInChI=1S/C15H17N3O2S2/c16-22(19,20)14-8-6-13(7-9-14)18-15(21)17-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,16,19,20)(H2,17,18,21)
InChIKeyWIAKAMSWLJQWOR-UHFFFAOYSA-N
XLogP1.86
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-phenylethyl)-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-phenylethyl)-3-(4-sulfamoylphenyl)thiourea?
The IUPAC name of 1-(2-phenylethyl)-3-(4-sulfamoylphenyl)thiourea (CID 892618) is 1-(2-phenylethyl)-3-(4-sulfamoylphenyl)thiourea.
What is the SMILES notation for 1-(2-phenylethyl)-3-(4-sulfamoylphenyl)thiourea?
The canonical SMILES for 1-(2-phenylethyl)-3-(4-sulfamoylphenyl)thiourea is NS(=O)(=O)c1ccc(NC(=S)NCCc2ccccc2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-3-(4-sulfamoylphenyl)thiourea?
The InChIKey is WIAKAMSWLJQWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c16-22(19,20)14-8-6-13(7-9-14)18-15(21)17-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,16,19,20)(H2,17,18,21).
What are the key properties of 1-(2-phenylethyl)-3-(4-sulfamoylphenyl)thiourea?
1-(2-phenylethyl)-3-(4-sulfamoylphenyl)thiourea has a molecular weight of 335.45 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-(4-sulfamoylphenyl)thiourea is sourced from PubChem (CID 892618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).