N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide

C16H14INOS — CID 51173241

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide
SMILESO=C(NC1CCSc2ccccc21)c1ccccc1I
InChIInChI=1S/C16H14INOS/c17-13-7-3-1-5-11(13)16(19)18-14-9-10-20-15-8-4-2-6-12(14)15/h1-8,14H,9-10H2,(H,18,19)
InChIKeyZVFNXTUQQVKPRJ-UHFFFAOYSA-N
MW395.27 g/mol
LogP4.26
Rot. Bonds2

About N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide (PubChem CID 51173241) has the molecular formula C16H14INOS and a molecular weight of 395.27 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide
PubChem CID51173241
Molecular FormulaC16H14INOS
Molecular Weight395.27 g/mol
Exact Mass394.98
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide
SMILESO=C(NC1CCSc2ccccc21)c1ccccc1I
InChIInChI=1S/C16H14INOS/c17-13-7-3-1-5-11(13)16(19)18-14-9-10-20-15-8-4-2-6-12(14)15/h1-8,14H,9-10H2,(H,18,19)
InChIKeyZVFNXTUQQVKPRJ-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylsulfonylbenzamide
CID 8894216
N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 103336899
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide
CID 8893170
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide
CID 39017514
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)-5-methylbenzamide
CID 80958800
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976311
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide
CID 47106126
5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide
CID 42949142
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 24503448
1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 43697767
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 8899013
4-acetyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrrole-2-carboxamide
CID 24616454

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide (CID 51173241) is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide is O=C(NC1CCSc2ccccc21)c1ccccc1I.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide?
The InChIKey is ZVFNXTUQQVKPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INOS/c17-13-7-3-1-5-11(13)16(19)18-14-9-10-20-15-8-4-2-6-12(14)15/h1-8,14H,9-10H2,(H,18,19).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide has a molecular weight of 395.27 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide is sourced from PubChem (CID 51173241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).