2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride

C17H23ClN2OS — CID 119269340

IUPAC2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride
SMILESCSCCC(N)C(=O)NC(C)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C17H22N2OS.ClH/c1-12(19-17(20)16(18)9-10-21-2)14-8-7-13-5-3-4-6-15(13)11-14;/h3-8,11-12,16H,9-10,18H2,1-2H3,(H,19,20);1H
InChIKeyWWXIPARELFMJAZ-UHFFFAOYSA-N
MW338.90 g/mol
LogP3.52
Rot. Bonds6

About 2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride

2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride (PubChem CID 119269340) has the molecular formula C17H23ClN2OS and a molecular weight of 338.90 g/mol. Its IUPAC name is 2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride
PubChem CID119269340
Molecular FormulaC17H23ClN2OS
Molecular Weight338.90 g/mol
Exact Mass338.12
IUPAC Name2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride
SMILESCSCCC(N)C(=O)NC(C)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C17H22N2OS.ClH/c1-12(19-17(20)16(18)9-10-21-2)14-8-7-13-5-3-4-6-15(13)11-14;/h3-8,11-12,16H,9-10,18H2,1-2H3,(H,19,20);1H
InChIKeyWWXIPARELFMJAZ-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.90
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-4-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 104907286
4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)-2-(propanoylamino)butanamide
CID 51120549
(2R)-2-amino-4-methylsulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
CID 104907254
2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride
CID 18408186
(2S)-2-amino-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119269302
(2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide
CID 104907136
(2S)-2-amino-4-methylsulfanyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide
CID 119288564
2-bromo-N-[4-methylsulfanyl-1-(1-naphthalen-2-ylethylamino)-1-oxobutan-2-yl]benzamide
CID 112762264
(2S)-2-amino-N-[1-(4-methyl-3-nitrophenyl)ethyl]-4-methylsulfanylbutanamide
CID 119344138
(2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 104908821
2-amino-3-methyl-N-(1-naphthalen-2-ylethyl)pentanamide
CID 119685967
(2S)-2-amino-4-methylsulfanyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119303255

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride?
The IUPAC name of 2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride (CID 119269340) is 2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride is CSCCC(N)C(=O)NC(C)c1ccc2ccccc2c1.Cl.
What is the InChIKey of 2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride?
The InChIKey is WWXIPARELFMJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS.ClH/c1-12(19-17(20)16(18)9-10-21-2)14-8-7-13-5-3-4-6-15(13)11-14;/h3-8,11-12,16H,9-10,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride?
2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride has a molecular weight of 338.90 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119269340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).