N-ethyl-2-naphthalen-2-ylsulfanyl-N-(pyridin-4-ylmethyl)acetamide

C20H20N2OS — CID 2354052

IUPACN-ethyl-2-naphthalen-2-ylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
SMILESCCN(Cc1ccncc1)C(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C20H20N2OS/c1-2-22(14-16-9-11-21-12-10-16)20(23)15-24-19-8-7-17-5-3-4-6-18(17)13-19/h3-13H,2,14-15H2,1H3
InChIKeyQMUKGKVZLMOQOE-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.38
Rot. Bonds6

About N-ethyl-2-naphthalen-2-ylsulfanyl-N-(pyridin-4-ylmethyl)acetamide

N-ethyl-2-naphthalen-2-ylsulfanyl-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 2354052) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-ethyl-2-naphthalen-2-ylsulfanyl-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-naphthalen-2-ylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
PubChem CID2354052
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-ethyl-2-naphthalen-2-ylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
SMILESCCN(Cc1ccncc1)C(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C20H20N2OS/c1-2-22(14-16-9-11-21-12-10-16)20(23)15-24-19-8-7-17-5-3-4-6-18(17)13-19/h3-13H,2,14-15H2,1H3
InChIKeyQMUKGKVZLMOQOE-UHFFFAOYSA-N
XLogP4.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-naphthalen-2-ylsulfanyl-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-naphthalen-2-ylsulfanyl-N-(pyridin-4-ylmethyl)acetamide (CID 2354052) is N-ethyl-2-naphthalen-2-ylsulfanyl-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-naphthalen-2-ylsulfanyl-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-naphthalen-2-ylsulfanyl-N-(pyridin-4-ylmethyl)acetamide is CCN(Cc1ccncc1)C(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-2-naphthalen-2-ylsulfanyl-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is QMUKGKVZLMOQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-2-22(14-16-9-11-21-12-10-16)20(23)15-24-19-8-7-17-5-3-4-6-18(17)13-19/h3-13H,2,14-15H2,1H3.
What are the key properties of N-ethyl-2-naphthalen-2-ylsulfanyl-N-(pyridin-4-ylmethyl)acetamide?
N-ethyl-2-naphthalen-2-ylsulfanyl-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 336.46 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-naphthalen-2-ylsulfanyl-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 2354052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).