N-(thiophen-2-ylmethylcarbamothioyl)benzamide

C13H12N2OS2 — CID 892758

IUPACN-(thiophen-2-ylmethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCc1cccs1)c1ccccc1
InChIInChI=1S/C13H12N2OS2/c16-12(10-5-2-1-3-6-10)15-13(17)14-9-11-7-4-8-18-11/h1-8H,9H2,(H2,14,15,16,17)
InChIKeyLTAWCHATRSDECJ-UHFFFAOYSA-N
MW276.39 g/mol
LogP2.55
Rot. Bonds3

About N-(thiophen-2-ylmethylcarbamothioyl)benzamide

N-(thiophen-2-ylmethylcarbamothioyl)benzamide (PubChem CID 892758) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-(thiophen-2-ylmethylcarbamothioyl)benzamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethylcarbamothioyl)benzamide
PubChem CID892758
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC NameN-(thiophen-2-ylmethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCc1cccs1)c1ccccc1
InChIInChI=1S/C13H12N2OS2/c16-12(10-5-2-1-3-6-10)15-13(17)14-9-11-7-4-8-18-11/h1-8H,9H2,(H2,14,15,16,17)
InChIKeyLTAWCHATRSDECJ-UHFFFAOYSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 54791822
4-nitro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4925364
2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4925309
4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4952306
N-(benzylcarbamothioyl)benzamide
CID 700976
ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate
CID 2824600
3-(2-chlorophenyl)-N-(thiophen-2-ylmethylcarbamothioyl)prop-2-enamide
CID 4925365
N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide
CID 39769052
2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4946095
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
N-[2-[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111257618
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethylcarbamothioyl)benzamide?
The IUPAC name of N-(thiophen-2-ylmethylcarbamothioyl)benzamide (CID 892758) is N-(thiophen-2-ylmethylcarbamothioyl)benzamide.
What is the SMILES notation for N-(thiophen-2-ylmethylcarbamothioyl)benzamide?
The canonical SMILES for N-(thiophen-2-ylmethylcarbamothioyl)benzamide is O=C(NC(=S)NCc1cccs1)c1ccccc1.
What is the InChIKey of N-(thiophen-2-ylmethylcarbamothioyl)benzamide?
The InChIKey is LTAWCHATRSDECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c16-12(10-5-2-1-3-6-10)15-13(17)14-9-11-7-4-8-18-11/h1-8H,9H2,(H2,14,15,16,17).
What are the key properties of N-(thiophen-2-ylmethylcarbamothioyl)benzamide?
N-(thiophen-2-ylmethylcarbamothioyl)benzamide has a molecular weight of 276.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethylcarbamothioyl)benzamide is sourced from PubChem (CID 892758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).