2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride

C18H25ClN2OS — CID 119304338

IUPAC2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCCSCc1cccc2ccccc12.Cl
InChIInChI=1S/C18H24N2OS.ClH/c1-2-6-17(19)18(21)20-11-12-22-13-15-9-5-8-14-7-3-4-10-16(14)15;/h3-5,7-10,17H,2,6,11-13,19H2,1H3,(H,20,21);1H
InChIKeySHIQLMMSYRWNAK-UHFFFAOYSA-N
MW352.93 g/mol
LogP3.74
Rot. Bonds8

About 2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride

2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride (PubChem CID 119304338) has the molecular formula C18H25ClN2OS and a molecular weight of 352.93 g/mol. Its IUPAC name is 2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride
PubChem CID119304338
Molecular FormulaC18H25ClN2OS
Molecular Weight352.93 g/mol
Exact Mass352.14
IUPAC Name2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCCSCc1cccc2ccccc12.Cl
InChIInChI=1S/C18H24N2OS.ClH/c1-2-6-17(19)18(21)20-11-12-22-13-15-9-5-8-14-7-3-4-10-16(14)15;/h3-5,7-10,17H,2,6,11-13,19H2,1H3,(H,20,21);1H
InChIKeySHIQLMMSYRWNAK-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.93
LogP ≤ 53.74
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

(2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide
CID 119304331
2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride
CID 119272252
(2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94488695
4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide
CID 120590294
2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119956122
2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide
CID 103950544
2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methoxypropanamide
CID 120983883
2-amino-N-benzylpentanamide
CID 11020044
N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(2-nitrophenyl)acetamide
CID 60568912
2-amino-3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115180118
methyl 2-[2-(2-aminopentanoylamino)ethylsulfanyl]acetate
CID 119320164

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride (CID 119304338) is 2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCCSCc1cccc2ccccc12.Cl.
What is the InChIKey of 2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride?
The InChIKey is SHIQLMMSYRWNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS.ClH/c1-2-6-17(19)18(21)20-11-12-22-13-15-9-5-8-14-7-3-4-10-16(14)15;/h3-5,7-10,17H,2,6,11-13,19H2,1H3,(H,20,21);1H.
What are the key properties of 2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride?
2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride has a molecular weight of 352.93 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119304338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).