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

C13H20N2OS — CID 22691889

IUPAC(2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide
SMILESCCc1ccccc1NC(=O)[C@@H](N)CCSC
InChIInChI=1S/C13H20N2OS/c1-3-10-6-4-5-7-12(10)15-13(16)11(14)8-9-17-2/h4-7,11H,3,8-9,14H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyLZFGODMNUGLWHA-NSHDSACASA-N
MW252.38 g/mol
LogP2.27
Rot. Bonds6

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

(2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide (PubChem CID 22691889) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide
PubChem CID22691889
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide
SMILESCCc1ccccc1NC(=O)[C@@H](N)CCSC
InChIInChI=1S/C13H20N2OS/c1-3-10-6-4-5-7-12(10)15-13(16)11(14)8-9-17-2/h4-7,11H,3,8-9,14H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyLZFGODMNUGLWHA-NSHDSACASA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]phenyl]acetic acid
CID 62535735
(2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide
CID 104906820
(2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide
CID 104906824
(2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide
CID 22691913
(2S)-2-amino-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 154912746
methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]benzoate
CID 104907008
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylbenzoic acid
CID 104907066
2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 3281721
2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-6-fluorobenzoic acid
CID 104907999
(2S)-2-amino-4-methylsulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61274381
(2S)-2-amino-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-4-methylsulfanylbutanamide
CID 61179305
(2S)-2-amino-N-(2-cyano-3-fluorophenyl)-4-methylsulfanylbutanamide
CID 61154404

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide (CID 22691889) is (2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide is CCc1ccccc1NC(=O)[C@@H](N)CCSC.
What is the InChIKey of (2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide?
The InChIKey is LZFGODMNUGLWHA-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-10-6-4-5-7-12(10)15-13(16)11(14)8-9-17-2/h4-7,11H,3,8-9,14H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide has a molecular weight of 252.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 22691889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).