(2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide

C13H20N2O2S — CID 22691913

IUPAC(2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](N)CCSC
InChIInChI=1S/C13H20N2O2S/c1-3-17-12-7-5-4-6-11(12)15-13(16)10(14)8-9-18-2/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyJLQAPVQWRWQUEX-JTQLQIEISA-N
MW268.38 g/mol
LogP2.10
Rot. Bonds7

About (2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide (PubChem CID 22691913) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide
PubChem CID22691913
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](N)CCSC
InChIInChI=1S/C13H20N2O2S/c1-3-17-12-7-5-4-6-11(12)15-13(16)10(14)8-9-18-2/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyJLQAPVQWRWQUEX-JTQLQIEISA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
(2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide
CID 22691889
(2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide
CID 104906820
(2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide
CID 104906824
2-[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]phenyl]acetic acid
CID 62535735
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]benzoate
CID 104907008
2-amino-N-(2-propoxyphenyl)pentanamide
CID 43702443
(2S)-2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylsulfanylbutanamide
CID 61164985
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
2-amino-4-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 60920196
2-amino-N-[2-(4-ethoxyphenoxy)phenyl]pentanamide
CID 119266399

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide (CID 22691913) is (2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide is CCOc1ccccc1NC(=O)[C@@H](N)CCSC.
What is the InChIKey of (2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide?
The InChIKey is JLQAPVQWRWQUEX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-17-12-7-5-4-6-11(12)15-13(16)10(14)8-9-18-2/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide has a molecular weight of 268.38 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 22691913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).