N-(benzylcarbamothioyl)-2-iodobenzamide

C15H13IN2OS — CID 2198373

IUPACN-(benzylcarbamothioyl)-2-iodobenzamide
SMILESO=C(NC(=S)NCc1ccccc1)c1ccccc1I
InChIInChI=1S/C15H13IN2OS/c16-13-9-5-4-8-12(13)14(19)18-15(20)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18,19,20)
InChIKeyJYKSXIRNKRPIAF-UHFFFAOYSA-N
MW396.25 g/mol
LogP3.10
Rot. Bonds3

About N-(benzylcarbamothioyl)-2-iodobenzamide

N-(benzylcarbamothioyl)-2-iodobenzamide (PubChem CID 2198373) has the molecular formula C15H13IN2OS and a molecular weight of 396.25 g/mol. Its IUPAC name is N-(benzylcarbamothioyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(benzylcarbamothioyl)-2-iodobenzamide
PubChem CID2198373
Molecular FormulaC15H13IN2OS
Molecular Weight396.25 g/mol
Exact Mass395.98
IUPAC NameN-(benzylcarbamothioyl)-2-iodobenzamide
SMILESO=C(NC(=S)NCc1ccccc1)c1ccccc1I
InChIInChI=1S/C15H13IN2OS/c16-13-9-5-4-8-12(13)14(19)18-15(20)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18,19,20)
InChIKeyJYKSXIRNKRPIAF-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(benzylcarbamothioyl)benzamide
CID 700976
N-(benzylcarbamothioyl)-2-methoxy-3-methylbenzamide
CID 17100458
N-(benzylcarbamothioyl)-2-(2-phenoxyethoxy)benzamide
CID 4954593
N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-iodobenzamide
CID 3523057
N-(benzylcarbamothioyl)-3-iodo-4-methoxybenzamide
CID 4633496
2-iodo-N-[[(2-phenoxyacetyl)amino]carbamothioyl]benzamide
CID 3519138
N-[[(2-iodobenzoyl)amino]carbamothioyl]-3-phenylpropanamide
CID 3555565
N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide
CID 62500805
N-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide
CID 28638781
N-(benzylcarbamothioyl)-4-methoxybenzamide
CID 920618
2-amino-N-(benzylcarbamothioyl)-4-nitrobenzamide
CID 139228065
N-[(3-fluorophenyl)methyl]-2-iodobenzamide
CID 46447840

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamothioyl)-2-iodobenzamide?
The IUPAC name of N-(benzylcarbamothioyl)-2-iodobenzamide (CID 2198373) is N-(benzylcarbamothioyl)-2-iodobenzamide.
What is the SMILES notation for N-(benzylcarbamothioyl)-2-iodobenzamide?
The canonical SMILES for N-(benzylcarbamothioyl)-2-iodobenzamide is O=C(NC(=S)NCc1ccccc1)c1ccccc1I.
What is the InChIKey of N-(benzylcarbamothioyl)-2-iodobenzamide?
The InChIKey is JYKSXIRNKRPIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2OS/c16-13-9-5-4-8-12(13)14(19)18-15(20)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18,19,20).
What are the key properties of N-(benzylcarbamothioyl)-2-iodobenzamide?
N-(benzylcarbamothioyl)-2-iodobenzamide has a molecular weight of 396.25 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamothioyl)-2-iodobenzamide is sourced from PubChem (CID 2198373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).