N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-methylsulfanylbenzamide

C20H19NO2S — CID 56764111

IUPACN-(2-hydroxy-2-naphthalen-1-ylethyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C20H19NO2S/c1-24-19-12-5-4-10-17(19)20(23)21-13-18(22)16-11-6-8-14-7-2-3-9-15(14)16/h2-12,18,22H,13H2,1H3,(H,21,23)
InChIKeyPKPDWVYXUYBIEO-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.03
Rot. Bonds5

About N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-methylsulfanylbenzamide

N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-methylsulfanylbenzamide (PubChem CID 56764111) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-2-methylsulfanylbenzamide
PubChem CID56764111
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C20H19NO2S/c1-24-19-12-5-4-10-17(19)20(23)21-13-18(22)16-11-6-8-14-7-2-3-9-15(14)16/h2-12,18,22H,13H2,1H3,(H,21,23)
InChIKeyPKPDWVYXUYBIEO-UHFFFAOYSA-N
XLogP4.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-methylsulfanylbenzamide (CID 56764111) is N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCC(O)c1cccc2ccccc12.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-methylsulfanylbenzamide?
The InChIKey is PKPDWVYXUYBIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-24-19-12-5-4-10-17(19)20(23)21-13-18(22)16-11-6-8-14-7-2-3-9-15(14)16/h2-12,18,22H,13H2,1H3,(H,21,23).
What are the key properties of N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-methylsulfanylbenzamide?
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-methylsulfanylbenzamide has a molecular weight of 337.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 56764111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).