(2S)-2-amino-N-naphthalen-1-yl-5-phenacylsulfanylpentanamide

C23H24N2O2S — CID 68939337

IUPAC(2S)-2-amino-N-naphthalen-1-yl-5-phenacylsulfanylpentanamide
SMILESN[C@@H](CCCSCC(=O)c1ccccc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H24N2O2S/c24-20(13-7-15-28-16-22(26)18-9-2-1-3-10-18)23(27)25-21-14-6-11-17-8-4-5-12-19(17)21/h1-6,8-12,14,20H,7,13,15-16,24H2,(H,25,27)/t20-/m0/s1
InChIKeyMCXRPPVGAGIEFW-FQEVSTJZSA-N
MW392.52 g/mol
LogP4.50
Rot. Bonds9

About (2S)-2-amino-N-naphthalen-1-yl-5-phenacylsulfanylpentanamide

(2S)-2-amino-N-naphthalen-1-yl-5-phenacylsulfanylpentanamide (PubChem CID 68939337) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is (2S)-2-amino-N-naphthalen-1-yl-5-phenacylsulfanylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-naphthalen-1-yl-5-phenacylsulfanylpentanamide
PubChem CID68939337
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name(2S)-2-amino-N-naphthalen-1-yl-5-phenacylsulfanylpentanamide
SMILESN[C@@H](CCCSCC(=O)c1ccccc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H24N2O2S/c24-20(13-7-15-28-16-22(26)18-9-2-1-3-10-18)23(27)25-21-14-6-11-17-8-4-5-12-19(17)21/h1-6,8-12,14,20H,7,13,15-16,24H2,(H,25,27)/t20-/m0/s1
InChIKeyMCXRPPVGAGIEFW-FQEVSTJZSA-N
XLogP4.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.50
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-naphthalen-1-yl-5-phenacylsulfanylpentanamide?
The IUPAC name of (2S)-2-amino-N-naphthalen-1-yl-5-phenacylsulfanylpentanamide (CID 68939337) is (2S)-2-amino-N-naphthalen-1-yl-5-phenacylsulfanylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-naphthalen-1-yl-5-phenacylsulfanylpentanamide?
The canonical SMILES for (2S)-2-amino-N-naphthalen-1-yl-5-phenacylsulfanylpentanamide is N[C@@H](CCCSCC(=O)c1ccccc1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of (2S)-2-amino-N-naphthalen-1-yl-5-phenacylsulfanylpentanamide?
The InChIKey is MCXRPPVGAGIEFW-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24N2O2S/c24-20(13-7-15-28-16-22(26)18-9-2-1-3-10-18)23(27)25-21-14-6-11-17-8-4-5-12-19(17)21/h1-6,8-12,14,20H,7,13,15-16,24H2,(H,25,27)/t20-/m0/s1.
What are the key properties of (2S)-2-amino-N-naphthalen-1-yl-5-phenacylsulfanylpentanamide?
(2S)-2-amino-N-naphthalen-1-yl-5-phenacylsulfanylpentanamide has a molecular weight of 392.52 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-naphthalen-1-yl-5-phenacylsulfanylpentanamide is sourced from PubChem (CID 68939337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).