N-(2,3-dihydroindole-1-carbothioyl)benzamide

C16H14N2OS — CID 833366

IUPACN-(2,3-dihydroindole-1-carbothioyl)benzamide
SMILESO=C(NC(=S)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C16H14N2OS/c19-15(13-7-2-1-3-8-13)17-16(20)18-11-10-12-6-4-5-9-14(12)18/h1-9H,10-11H2,(H,17,19,20)
InChIKeyCWKUDCDGYDYINY-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.76
Rot. Bonds1

About N-(2,3-dihydroindole-1-carbothioyl)benzamide

N-(2,3-dihydroindole-1-carbothioyl)benzamide (PubChem CID 833366) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(2,3-dihydroindole-1-carbothioyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydroindole-1-carbothioyl)benzamide
PubChem CID833366
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-(2,3-dihydroindole-1-carbothioyl)benzamide
SMILESO=C(NC(=S)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C16H14N2OS/c19-15(13-7-2-1-3-8-13)17-16(20)18-11-10-12-6-4-5-9-14(12)18/h1-9H,10-11H2,(H,17,19,20)
InChIKeyCWKUDCDGYDYINY-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroindole-1-carbothioyl)benzamide?
The IUPAC name of N-(2,3-dihydroindole-1-carbothioyl)benzamide (CID 833366) is N-(2,3-dihydroindole-1-carbothioyl)benzamide.
What is the SMILES notation for N-(2,3-dihydroindole-1-carbothioyl)benzamide?
The canonical SMILES for N-(2,3-dihydroindole-1-carbothioyl)benzamide is O=C(NC(=S)N1CCc2ccccc21)c1ccccc1.
What is the InChIKey of N-(2,3-dihydroindole-1-carbothioyl)benzamide?
The InChIKey is CWKUDCDGYDYINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c19-15(13-7-2-1-3-8-13)17-16(20)18-11-10-12-6-4-5-9-14(12)18/h1-9H,10-11H2,(H,17,19,20).
What are the key properties of N-(2,3-dihydroindole-1-carbothioyl)benzamide?
N-(2,3-dihydroindole-1-carbothioyl)benzamide has a molecular weight of 282.37 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroindole-1-carbothioyl)benzamide is sourced from PubChem (CID 833366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).