N-(benzenesulfonamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide

C14H13N3O3S3 — CID 3370146

IUPACN-(benzenesulfonamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NC(=S)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H13N3O3S3/c18-13(9-8-11-5-4-10-22-11)15-14(21)16-17-23(19,20)12-6-2-1-3-7-12/h1-10,17H,(H2,15,16,18,21)
InChIKeyLCRMSPNHRCEBRH-UHFFFAOYSA-N
MW367.48 g/mol
LogP1.65
Rot. Bonds5

About N-(benzenesulfonamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide

N-(benzenesulfonamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 3370146) has the molecular formula C14H13N3O3S3 and a molecular weight of 367.48 g/mol. Its IUPAC name is N-(benzenesulfonamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(benzenesulfonamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID3370146
Molecular FormulaC14H13N3O3S3
Molecular Weight367.48 g/mol
Exact Mass367.01
IUPAC NameN-(benzenesulfonamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NC(=S)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H13N3O3S3/c18-13(9-8-11-5-4-10-22-11)15-14(21)16-17-23(19,20)12-6-2-1-3-7-12/h1-10,17H,(H2,15,16,18,21)
InChIKeyLCRMSPNHRCEBRH-UHFFFAOYSA-N
XLogP1.65
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(benzenesulfonamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide 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

4-oxo-N-phenyl-4-[2-(3-thiophen-2-ylprop-2-enoylcarbamothioyl)hydrazinyl]butanamide
CID 5208263
N-[[(2-chlorobenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 5208024
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 3257983
N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 4924713
(E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide
CID 6235093
(E)-N-[[(2-methylbenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 6301421
N-benzyl-4-oxo-4-[2-(3-thiophen-2-ylprop-2-enoylcarbamothioyl)hydrazinyl]butanamide
CID 5208268
(E)-N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 6234180
N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 4934153
N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide
CID 17354102
(E)-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 17171135
N-[[(3-chlorobenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 5208020

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-(benzenesulfonamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide (CID 3370146) is N-(benzenesulfonamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-(benzenesulfonamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-(benzenesulfonamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)NC(=S)NNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is LCRMSPNHRCEBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S3/c18-13(9-8-11-5-4-10-22-11)15-14(21)16-17-23(19,20)12-6-2-1-3-7-12/h1-10,17H,(H2,15,16,18,21).
What are the key properties of N-(benzenesulfonamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide?
N-(benzenesulfonamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 367.48 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 3370146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).