5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide

C13H14N2O2S3 — CID 106270133

IUPAC5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C13H14N2O2S3/c1-2-15(10-6-4-3-5-7-10)20(16,17)12-9-8-11(19-12)13(14)18/h3-9H,2H2,1H3,(H2,14,18)
InChIKeyQKZFUSLRYFXLQY-UHFFFAOYSA-N
MW326.47 g/mol
LogP2.60
Rot. Bonds5

About 5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide

5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 106270133) has the molecular formula C13H14N2O2S3 and a molecular weight of 326.47 g/mol. Its IUPAC name is 5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID106270133
Molecular FormulaC13H14N2O2S3
Molecular Weight326.47 g/mol
Exact Mass326.02
IUPAC Name5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C13H14N2O2S3/c1-2-15(10-6-4-3-5-7-10)20(16,17)12-9-8-11(19-12)13(14)18/h3-9H,2H2,1H3,(H2,14,18)
InChIKeyQKZFUSLRYFXLQY-UHFFFAOYSA-N
XLogP2.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide 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

5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270925
5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270318
5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 103223838
5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide
CID 106272065
3-(N-(5-methylthiophen-2-yl)sulfonylanilino)propanethioamide
CID 29036187
5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166607
5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide
CID 106271240
5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271507
2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide
CID 106270824
5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270865
5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270793
5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270368

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide (CID 106270133) is 5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is QKZFUSLRYFXLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S3/c1-2-15(10-6-4-3-5-7-10)20(16,17)12-9-8-11(19-12)13(14)18/h3-9H,2H2,1H3,(H2,14,18).
What are the key properties of 5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide?
5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 326.47 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106270133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).