(2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide

C16H19NO2S — CID 8957294

IUPAC(2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide
SMILESCOCCNC(=O)[C@H](C)Sc1ccc2ccccc2c1
InChIInChI=1S/C16H19NO2S/c1-12(16(18)17-9-10-19-2)20-15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12H,9-10H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyCVIMPMUZNGUYRS-LBPRGKRZSA-N
MW289.40 g/mol
LogP3.08
Rot. Bonds6

About (2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide

(2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide (PubChem CID 8957294) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is (2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide
PubChem CID8957294
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name(2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide
SMILESCOCCNC(=O)[C@H](C)Sc1ccc2ccccc2c1
InChIInChI=1S/C16H19NO2S/c1-12(16(18)17-9-10-19-2)20-15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12H,9-10H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyCVIMPMUZNGUYRS-LBPRGKRZSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
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-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 133231200
(2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082812
(2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7793117
2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide
CID 43299407
(2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide
CID 2500778
(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082799
2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide
CID 43299392
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 30400150
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide
CID 27758314
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 51546952
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 133166181
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide?
The IUPAC name of (2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide (CID 8957294) is (2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide?
The canonical SMILES for (2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide is COCCNC(=O)[C@H](C)Sc1ccc2ccccc2c1.
What is the InChIKey of (2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide?
The InChIKey is CVIMPMUZNGUYRS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12(16(18)17-9-10-19-2)20-15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12H,9-10H2,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide?
(2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide has a molecular weight of 289.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide is sourced from PubChem (CID 8957294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).