(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide

C14H21FN2OS — CID 104907700

IUPAC(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C14H21FN2OS/c1-10(11-6-4-5-7-12(11)15)17(2)14(18)13(16)8-9-19-3/h4-7,10,13H,8-9,16H2,1-3H3/t10?,13-/m1/s1
InChIKeyCRKMXYCGEAHNGL-JLOHTSLTSA-N
MW284.40 g/mol
LogP2.43
Rot. Bonds6

About (2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide

(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide (PubChem CID 104907700) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide
PubChem CID104907700
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC Name(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C14H21FN2OS/c1-10(11-6-4-5-7-12(11)15)17(2)14(18)13(16)8-9-19-3/h4-7,10,13H,8-9,16H2,1-3H3/t10?,13-/m1/s1
InChIKeyCRKMXYCGEAHNGL-JLOHTSLTSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylpentanamide
CID 54870454
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide
CID 61172862
3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119710675
2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide
CID 54870533
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 60939648
(4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide
CID 99804367
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-4-methylsulfanylbutanamide
CID 104908627
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200476
(2S)-2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbutanamide
CID 79024859
(2-fluorophenyl)methyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909728
2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide
CID 54870514
(2R)-2-amino-N-benzyl-N-butan-2-yl-4-methylsulfanylbutanamide
CID 104907611

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide (CID 104907700) is (2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)N(C)C(C)c1ccccc1F.
What is the InChIKey of (2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide?
The InChIKey is CRKMXYCGEAHNGL-JLOHTSLTSA-N. The full InChI is InChI=1S/C14H21FN2OS/c1-10(11-6-4-5-7-12(11)15)17(2)14(18)13(16)8-9-19-3/h4-7,10,13H,8-9,16H2,1-3H3/t10?,13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide?
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide has a molecular weight of 284.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 104907700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).