2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide

C13H11ClN2OS2 — CID 4925309

IUPAC2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCc1cccs1)c1ccccc1Cl
InChIInChI=1S/C13H11ClN2OS2/c14-11-6-2-1-5-10(11)12(17)16-13(18)15-8-9-4-3-7-19-9/h1-7H,8H2,(H2,15,16,17,18)
InChIKeyRCKOSESPTVDJJC-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.21
Rot. Bonds3

About 2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide

2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide (PubChem CID 4925309) has the molecular formula C13H11ClN2OS2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
PubChem CID4925309
Molecular FormulaC13H11ClN2OS2
Molecular Weight310.83 g/mol
Exact Mass310.00
IUPAC Name2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCc1cccs1)c1ccccc1Cl
InChIInChI=1S/C13H11ClN2OS2/c14-11-6-2-1-5-10(11)12(17)16-13(18)15-8-9-4-3-7-19-9/h1-7H,8H2,(H2,15,16,17,18)
InChIKeyRCKOSESPTVDJJC-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.21
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

2-chloro-N-(2-thiophen-2-ylethylcarbamothioyl)benzamide
CID 3410297
N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 892758
3-(2-chlorophenyl)-N-(thiophen-2-ylmethylcarbamothioyl)prop-2-enamide
CID 4925365
2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4946095
2-chloro-N-[2-[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111259667
3-bromo-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 54791822
4-nitro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4925364
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(thiophen-2-ylmethylamino)propyl]benzamide
CID 2491995
ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate
CID 2824600
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570693
4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4952306
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide?
The IUPAC name of 2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide (CID 4925309) is 2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide.
What is the SMILES notation for 2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide?
The canonical SMILES for 2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide is O=C(NC(=S)NCc1cccs1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide?
The InChIKey is RCKOSESPTVDJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS2/c14-11-6-2-1-5-10(11)12(17)16-13(18)15-8-9-4-3-7-19-9/h1-7H,8H2,(H2,15,16,17,18).
What are the key properties of 2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide?
2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide has a molecular weight of 310.83 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide is sourced from PubChem (CID 4925309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).