naphthalen-2-yl N-(phenylcarbamothioyl)carbamate

C18H14N2O2S — CID 21430704

IUPACnaphthalen-2-yl N-(phenylcarbamothioyl)carbamate
SMILESO=C(NC(=S)Nc1ccccc1)Oc1ccc2ccccc2c1
InChIInChI=1S/C18H14N2O2S/c21-18(20-17(23)19-15-8-2-1-3-9-15)22-16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H2,19,20,21,23)
InChIKeyCSJZCBXCIYHQPZ-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.33
Rot. Bonds2

About naphthalen-2-yl N-(phenylcarbamothioyl)carbamate

naphthalen-2-yl N-(phenylcarbamothioyl)carbamate (PubChem CID 21430704) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is naphthalen-2-yl N-(phenylcarbamothioyl)carbamate.

Molecular Properties

Compound Namenaphthalen-2-yl N-(phenylcarbamothioyl)carbamate
PubChem CID21430704
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Namenaphthalen-2-yl N-(phenylcarbamothioyl)carbamate
SMILESO=C(NC(=S)Nc1ccccc1)Oc1ccc2ccccc2c1
InChIInChI=1S/C18H14N2O2S/c21-18(20-17(23)19-15-8-2-1-3-9-15)22-16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H2,19,20,21,23)
InChIKeyCSJZCBXCIYHQPZ-UHFFFAOYSA-N
XLogP4.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 naphthalen-2-yl N-(phenylcarbamothioyl)carbamate?
The IUPAC name of naphthalen-2-yl N-(phenylcarbamothioyl)carbamate (CID 21430704) is naphthalen-2-yl N-(phenylcarbamothioyl)carbamate.
What is the SMILES notation for naphthalen-2-yl N-(phenylcarbamothioyl)carbamate?
The canonical SMILES for naphthalen-2-yl N-(phenylcarbamothioyl)carbamate is O=C(NC(=S)Nc1ccccc1)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl N-(phenylcarbamothioyl)carbamate?
The InChIKey is CSJZCBXCIYHQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c21-18(20-17(23)19-15-8-2-1-3-9-15)22-16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H2,19,20,21,23).
What are the key properties of naphthalen-2-yl N-(phenylcarbamothioyl)carbamate?
naphthalen-2-yl N-(phenylcarbamothioyl)carbamate has a molecular weight of 322.39 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl N-(phenylcarbamothioyl)carbamate is sourced from PubChem (CID 21430704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).