2-naphthalen-1-ylsulfanyl-N-[2-(pentylamino)ethyl]acetamide

C19H26N2OS — CID 15287733

IUPAC2-naphthalen-1-ylsulfanyl-N-[2-(pentylamino)ethyl]acetamide
SMILESCCCCCNCCNC(=O)CSc1cccc2ccccc12
InChIInChI=1S/C19H26N2OS/c1-2-3-6-12-20-13-14-21-19(22)15-23-18-11-7-9-16-8-4-5-10-17(16)18/h4-5,7-11,20H,2-3,6,12-15H2,1H3,(H,21,22)
InChIKeyOONFWEYOCCJNFA-UHFFFAOYSA-N
MW330.50 g/mol
LogP3.83
Rot. Bonds10

About 2-naphthalen-1-ylsulfanyl-N-[2-(pentylamino)ethyl]acetamide

2-naphthalen-1-ylsulfanyl-N-[2-(pentylamino)ethyl]acetamide (PubChem CID 15287733) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-naphthalen-1-ylsulfanyl-N-[2-(pentylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-ylsulfanyl-N-[2-(pentylamino)ethyl]acetamide
PubChem CID15287733
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name2-naphthalen-1-ylsulfanyl-N-[2-(pentylamino)ethyl]acetamide
SMILESCCCCCNCCNC(=O)CSc1cccc2ccccc12
InChIInChI=1S/C19H26N2OS/c1-2-3-6-12-20-13-14-21-19(22)15-23-18-11-7-9-16-8-4-5-10-17(16)18/h4-5,7-11,20H,2-3,6,12-15H2,1H3,(H,21,22)
InChIKeyOONFWEYOCCJNFA-UHFFFAOYSA-N
XLogP3.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylsulfanyl-N-[2-(pentylamino)ethyl]acetamide?
The IUPAC name of 2-naphthalen-1-ylsulfanyl-N-[2-(pentylamino)ethyl]acetamide (CID 15287733) is 2-naphthalen-1-ylsulfanyl-N-[2-(pentylamino)ethyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-ylsulfanyl-N-[2-(pentylamino)ethyl]acetamide?
The canonical SMILES for 2-naphthalen-1-ylsulfanyl-N-[2-(pentylamino)ethyl]acetamide is CCCCCNCCNC(=O)CSc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylsulfanyl-N-[2-(pentylamino)ethyl]acetamide?
The InChIKey is OONFWEYOCCJNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-2-3-6-12-20-13-14-21-19(22)15-23-18-11-7-9-16-8-4-5-10-17(16)18/h4-5,7-11,20H,2-3,6,12-15H2,1H3,(H,21,22).
What are the key properties of 2-naphthalen-1-ylsulfanyl-N-[2-(pentylamino)ethyl]acetamide?
2-naphthalen-1-ylsulfanyl-N-[2-(pentylamino)ethyl]acetamide has a molecular weight of 330.50 g/mol, XLogP of 3.83, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylsulfanyl-N-[2-(pentylamino)ethyl]acetamide is sourced from PubChem (CID 15287733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).