(2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide

C11H15ClN2OS — CID 104906824

IUPAC(2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H15ClN2OS/c1-16-7-6-9(13)11(15)14-10-5-3-2-4-8(10)12/h2-5,9H,6-7,13H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyZLZSGGVPUXTABM-SECBINFHSA-N
MW258.77 g/mol
LogP2.36
Rot. Bonds5

About (2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide (PubChem CID 104906824) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide
PubChem CID104906824
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name(2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H15ClN2OS/c1-16-7-6-9(13)11(15)14-10-5-3-2-4-8(10)12/h2-5,9H,6-7,13H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyZLZSGGVPUXTABM-SECBINFHSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide
CID 22691889
(2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide
CID 104906820
2-[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]phenyl]acetic acid
CID 62535735
(2S)-2-amino-N-(2-chlorophenyl)hexanamide
CID 103830834
methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]benzoate
CID 104907008
2-amino-N-(2-chlorophenyl)-4-phenylbutanamide
CID 114924914
(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-4-methylsulfanylbutanamide
CID 61179964
(2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide
CID 22691913
methyl 3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-4-chlorobenzoate
CID 104907294
(2R)-2-amino-N-[2-chloro-5-(propanoylamino)phenyl]-4-methylsulfanylbutanamide
CID 104907146
(2R)-2-amino-N-(2-chloro-4-nitrophenyl)-4-methylsulfanylbutanamide
CID 104907199
(2S)-2-amino-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methylsulfanylbutanamide
CID 61178604

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide (CID 104906824) is (2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)Nc1ccccc1Cl.
What is the InChIKey of (2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide?
The InChIKey is ZLZSGGVPUXTABM-SECBINFHSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-16-7-6-9(13)11(15)14-10-5-3-2-4-8(10)12/h2-5,9H,6-7,13H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide has a molecular weight of 258.77 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104906824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).