(2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide

C18H24N2OS2 — CID 119304331

IUPAC(2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide
SMILESCSCC[C@H](N)C(=O)NCCSCc1cccc2ccccc12
InChIInChI=1S/C18H24N2OS2/c1-22-11-9-17(19)18(21)20-10-12-23-13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,17H,9-13,19H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyALTWYXPMAIORNA-KRWDZBQOSA-N
MW348.54 g/mol
LogP3.27
Rot. Bonds9

About (2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide

(2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide (PubChem CID 119304331) has the molecular formula C18H24N2OS2 and a molecular weight of 348.54 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide
PubChem CID119304331
Molecular FormulaC18H24N2OS2
Molecular Weight348.54 g/mol
Exact Mass348.13
IUPAC Name(2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide
SMILESCSCC[C@H](N)C(=O)NCCSCc1cccc2ccccc12
InChIInChI=1S/C18H24N2OS2/c1-22-11-9-17(19)18(21)20-10-12-23-13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,17H,9-13,19H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyALTWYXPMAIORNA-KRWDZBQOSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride
CID 119304338
(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid
CID 161034514
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide
CID 120590294
(2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94488695
(2S)-2-amino-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119296429
2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119956122
(2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide
CID 104908153
N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(2-nitrophenyl)acetamide
CID 60568912
2-amino-3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115180118
(2S)-2-amino-4-methylsulfanyl-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 61180691
(2S)-2-amino-N-[(4-aminophenyl)methyl]-4-methylsulfanylbutanamide
CID 23598003

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide (CID 119304331) is (2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide is CSCC[C@H](N)C(=O)NCCSCc1cccc2ccccc12.
What is the InChIKey of (2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide?
The InChIKey is ALTWYXPMAIORNA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N2OS2/c1-22-11-9-17(19)18(21)20-10-12-23-13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,17H,9-13,19H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide?
(2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide has a molecular weight of 348.54 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide is sourced from PubChem (CID 119304331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).