N-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide

C17H21NOS — CID 102486340

IUPACN-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide
SMILESO=C(CCCCS)NCCc1cccc2ccccc12
InChIInChI=1S/C17H21NOS/c19-17(10-3-4-13-20)18-12-11-15-8-5-7-14-6-1-2-9-16(14)15/h1-2,5-9,20H,3-4,10-13H2,(H,18,19)
InChIKeyCZDXWAKKKUDUTI-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.60
Rot. Bonds7

About N-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide

N-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide (PubChem CID 102486340) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide.

Molecular Properties

Compound NameN-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide
PubChem CID102486340
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide
SMILESO=C(CCCCS)NCCc1cccc2ccccc12
InChIInChI=1S/C17H21NOS/c19-17(10-3-4-13-20)18-12-11-15-8-5-7-14-6-1-2-9-16(14)15/h1-2,5-9,20H,3-4,10-13H2,(H,18,19)
InChIKeyCZDXWAKKKUDUTI-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115139376
4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride
CID 119722500
2-amino-N-(2-naphthalen-1-ylethyl)acetamide
CID 115151700
3-(dimethylsulfamoyl)-N-(2-naphthalen-1-ylethyl)propanamide
CID 75514638
4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide
CID 89353009
3-amino-N-(2-naphthalen-1-ylethyl)butanamide
CID 115154377
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
(E)-4-(2-naphthalen-1-ylethylamino)-4-oxobut-2-enoic acid
CID 115177297
N-[2-(2-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032245
2-(cyclopropylmethylamino)-N-(2-naphthalen-1-ylethyl)acetamide
CID 119722516
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
2-hydroxy-2-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 115178963

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide?
The IUPAC name of N-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide (CID 102486340) is N-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide.
What is the SMILES notation for N-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide?
The canonical SMILES for N-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide is O=C(CCCCS)NCCc1cccc2ccccc12.
What is the InChIKey of N-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide?
The InChIKey is CZDXWAKKKUDUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c19-17(10-3-4-13-20)18-12-11-15-8-5-7-14-6-1-2-9-16(14)15/h1-2,5-9,20H,3-4,10-13H2,(H,18,19).
What are the key properties of N-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide?
N-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide has a molecular weight of 287.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide is sourced from PubChem (CID 102486340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).