N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide

C14H15N3O3S3 — CID 2142268

IUPACN-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1
InChIInChI=1S/C14H15N3O3S3/c1-17(2)23(19,20)11-7-5-10(6-8-11)15-14(21)16-13(18)12-4-3-9-22-12/h3-9H,1-2H3,(H2,15,16,18,21)
InChIKeyVORHNHLKAWILNF-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.13
Rot. Bonds4

About N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide

N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide (PubChem CID 2142268) has the molecular formula C14H15N3O3S3 and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
PubChem CID2142268
Molecular FormulaC14H15N3O3S3
Molecular Weight369.49 g/mol
Exact Mass369.03
IUPAC NameN-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1
InChIInChI=1S/C14H15N3O3S3/c1-17(2)23(19,20)11-7-5-10(6-8-11)15-14(21)16-13(18)12-4-3-9-22-12/h3-9H,1-2H3,(H2,15,16,18,21)
InChIKeyVORHNHLKAWILNF-UHFFFAOYSA-N
XLogP2.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide 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 N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide (CID 2142268) is N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide is CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The InChIKey is VORHNHLKAWILNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S3/c1-17(2)23(19,20)11-7-5-10(6-8-11)15-14(21)16-13(18)12-4-3-9-22-12/h3-9H,1-2H3,(H2,15,16,18,21).
What are the key properties of N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 2142268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).