(2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide

C15H17BrN2OS — CID 81259945

IUPAC(2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H17BrN2OS/c1-20-7-6-14(17)15(19)18-13-5-3-10-8-12(16)4-2-11(10)9-13/h2-5,8-9,14H,6-7,17H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyNMHUHYWXIZPVAH-AWEZNQCLSA-N
MW353.29 g/mol
LogP3.62
Rot. Bonds5

About (2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide (PubChem CID 81259945) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide
PubChem CID81259945
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name(2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H17BrN2OS/c1-20-7-6-14(17)15(19)18-13-5-3-10-8-12(16)4-2-11(10)9-13/h2-5,8-9,14H,6-7,17H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyNMHUHYWXIZPVAH-AWEZNQCLSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride
CID 18408186
(2R)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
CID 104903779
2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-5-bromobenzoic acid
CID 104908326
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)-4-methylsulfanylbutanamide
CID 55119461
(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
CID 61148006
4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylbenzoic acid
CID 104908297
(2R)-2-amino-N-(2,3-dihydro-1H-inden-5-yl)-4-methylsulfanylbutanamide
CID 104906781
(2S)-2-amino-4-methylsulfanyl-N-[4-(propanoylamino)phenyl]butanamide
CID 61179133
N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide
CID 81003623
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-chlorobenzamide
CID 61179378
(2S)-2-amino-N-(3-chloro-4-fluorophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119263179
(2S)-2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119344109

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide (CID 81259945) is (2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of (2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide?
The InChIKey is NMHUHYWXIZPVAH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-20-7-6-14(17)15(19)18-13-5-3-10-8-12(16)4-2-11(10)9-13/h2-5,8-9,14H,6-7,17H2,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide has a molecular weight of 353.29 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 81259945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).