(2S)-2-amino-4-methylsulfanyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide

C15H20N2O2S — CID 119322563

IUPAC(2S)-2-amino-4-methylsulfanyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide
SMILESCSCC[C@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C15H20N2O2S/c1-20-8-7-13(16)15(19)17-11-6-5-10-3-2-4-14(18)12(10)9-11/h5-6,9,13H,2-4,7-8,16H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyKXWVXDCYRXALAQ-ZDUSSCGKSA-N
MW292.40 g/mol
LogP2.22
Rot. Bonds5

About (2S)-2-amino-4-methylsulfanyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide

(2S)-2-amino-4-methylsulfanyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide (PubChem CID 119322563) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide
PubChem CID119322563
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name(2S)-2-amino-4-methylsulfanyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide
SMILESCSCC[C@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C15H20N2O2S/c1-20-8-7-13(16)15(19)17-11-6-5-10-3-2-4-14(18)12(10)9-11/h5-6,9,13H,2-4,7-8,16H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyKXWVXDCYRXALAQ-ZDUSSCGKSA-N
XLogP2.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2,3-dihydro-1H-inden-5-yl)-4-methylsulfanylbutanamide
CID 104906781
(2S)-2-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-methylsulfanylbutanamide
CID 61148066
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-chlorobenzamide
CID 61179378
(2S)-2-amino-N-(3-chloro-4-fluorophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119263179
2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
CID 119322556
2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride
CID 18408186
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)-4-methylsulfanylbutanamide
CID 55119461
(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
CID 61148006
(2S)-2-amino-N-(4-chloro-3-methoxyphenyl)-4-methylsulfanylbutanamide
CID 107621717
2-(methylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide
CID 119781803
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide
CID 119325036
4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylbenzoic acid
CID 104908297

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide?
The IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide (CID 119322563) is (2S)-2-amino-4-methylsulfanyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide?
The canonical SMILES for (2S)-2-amino-4-methylsulfanyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide is CSCC[C@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCC2.
What is the InChIKey of (2S)-2-amino-4-methylsulfanyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide?
The InChIKey is KXWVXDCYRXALAQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-20-8-7-13(16)15(19)17-11-6-5-10-3-2-4-14(18)12(10)9-11/h5-6,9,13H,2-4,7-8,16H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-4-methylsulfanyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide?
(2S)-2-amino-4-methylsulfanyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide has a molecular weight of 292.40 g/mol, XLogP of 2.22, 5 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-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide is sourced from PubChem (CID 119322563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).