N-(naphthalen-1-ylcarbamothioyl)benzamide

C18H14N2OS — CID 701017

IUPACN-(naphthalen-1-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C18H14N2OS/c21-17(14-8-2-1-3-9-14)20-18(22)19-16-12-6-10-13-7-4-5-11-15(13)16/h1-12H,(H2,19,20,21,22)
InChIKeyJYZHKZNALZZENK-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.97
Rot. Bonds2

About N-(naphthalen-1-ylcarbamothioyl)benzamide

N-(naphthalen-1-ylcarbamothioyl)benzamide (PubChem CID 701017) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(naphthalen-1-ylcarbamothioyl)benzamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylcarbamothioyl)benzamide
PubChem CID701017
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC NameN-(naphthalen-1-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C18H14N2OS/c21-17(14-8-2-1-3-9-14)20-18(22)19-16-12-6-10-13-7-4-5-11-15(13)16/h1-12H,(H2,19,20,21,22)
InChIKeyJYZHKZNALZZENK-UHFFFAOYSA-N
XLogP3.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.97
H-Bond Donors ≤ 52
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-(naphthalen-1-ylcarbamothioyl)benzamide?
The IUPAC name of N-(naphthalen-1-ylcarbamothioyl)benzamide (CID 701017) is N-(naphthalen-1-ylcarbamothioyl)benzamide.
What is the SMILES notation for N-(naphthalen-1-ylcarbamothioyl)benzamide?
The canonical SMILES for N-(naphthalen-1-ylcarbamothioyl)benzamide is O=C(NC(=S)Nc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of N-(naphthalen-1-ylcarbamothioyl)benzamide?
The InChIKey is JYZHKZNALZZENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c21-17(14-8-2-1-3-9-14)20-18(22)19-16-12-6-10-13-7-4-5-11-15(13)16/h1-12H,(H2,19,20,21,22).
What are the key properties of N-(naphthalen-1-ylcarbamothioyl)benzamide?
N-(naphthalen-1-ylcarbamothioyl)benzamide has a molecular weight of 306.39 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylcarbamothioyl)benzamide is sourced from PubChem (CID 701017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).