N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide

C17H21NO2S — CID 103767492

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCCSCCCO
InChIInChI=1S/C17H21NO2S/c19-9-3-10-21-11-8-18-17(20)13-14-6-7-15-4-1-2-5-16(15)12-14/h1-2,4-7,12,19H,3,8-11,13H2,(H,18,20)
InChIKeyHEDSBCAXCCUOEO-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.61
Rot. Bonds8

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide (PubChem CID 103767492) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide
PubChem CID103767492
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCCSCCCO
InChIInChI=1S/C17H21NO2S/c19-9-3-10-21-11-8-18-17(20)13-14-6-7-15-4-1-2-5-16(15)12-14/h1-2,4-7,12,19H,3,8-11,13H2,(H,18,20)
InChIKeyHEDSBCAXCCUOEO-UHFFFAOYSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.61
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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Related Compounds

2-(4-aminophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 106308475
N-(2-bromoethyl)-2-naphthalen-2-ylacetamide
CID 43133408
2-naphthalen-2-yl-N-(2-phenylethyl)acetamide
CID 26913082
2-(3-fluoro-4-methoxyphenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 103800898
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide
CID 103767427
2-naphthalen-2-yl-N-pent-4-ynylacetamide
CID 103709060
N-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide
CID 103767307
N-(2,3-dihydroxypropyl)-2-naphthalen-2-ylacetamide
CID 66175171
N-[2-(ethylamino)ethyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119504641
N-(3-azidopropyl)-2-naphthalen-2-ylacetamide
CID 61343834
N-(4-aminopentyl)-2-naphthalen-2-ylacetamide
CID 106122522
3-[2-(2-naphthalen-2-ylethoxy)ethylsulfanyl]propan-1-ol
CID 69105625

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide (CID 103767492) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide is O=C(Cc1ccc2ccccc2c1)NCCSCCCO.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide?
The InChIKey is HEDSBCAXCCUOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c19-9-3-10-21-11-8-18-17(20)13-14-6-7-15-4-1-2-5-16(15)12-14/h1-2,4-7,12,19H,3,8-11,13H2,(H,18,20).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide has a molecular weight of 303.43 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 103767492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).