(2R)-2-amino-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanylbutanamide

C13H18Cl2N2OS — CID 104907677

IUPAC(2R)-2-amino-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2OS/c1-17(13(18)12(16)5-6-19-2)8-9-3-4-10(14)7-11(9)15/h3-4,7,12H,5-6,8,16H2,1-2H3/t12-/m1/s1
InChIKeyGLWCONLXRBSJLA-GFCCVEGCSA-N
MW321.27 g/mol
LogP3.03
Rot. Bonds6

About (2R)-2-amino-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanylbutanamide

(2R)-2-amino-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanylbutanamide (PubChem CID 104907677) has the molecular formula C13H18Cl2N2OS and a molecular weight of 321.27 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanylbutanamide
PubChem CID104907677
Molecular FormulaC13H18Cl2N2OS
Molecular Weight321.27 g/mol
Exact Mass320.05
IUPAC Name(2R)-2-amino-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2OS/c1-17(13(18)12(16)5-6-19-2)8-9-3-4-10(14)7-11(9)15/h3-4,7,12H,5-6,8,16H2,1-2H3/t12-/m1/s1
InChIKeyGLWCONLXRBSJLA-GFCCVEGCSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide
CID 119308693
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
(2S)-2-amino-N-methyl-N-[(3-methylphenyl)methyl]-4-methylsulfanylbutanamide
CID 61165636
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylsulfanylbutanamide
CID 104907715
(2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 104906974
(2S)-2-amino-N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbutanamide
CID 61154534
(2R)-2-amino-N-methyl-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 104908271
(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
CID 61154496
(2S)-2-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methyl-4-methylsulfanylbutanamide
CID 119333716
2-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide;hydrochloride
CID 119267761
2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide
CID 54869039
3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118651

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanylbutanamide (CID 104907677) is (2R)-2-amino-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)N(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of (2R)-2-amino-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanylbutanamide?
The InChIKey is GLWCONLXRBSJLA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18Cl2N2OS/c1-17(13(18)12(16)5-6-19-2)8-9-3-4-10(14)7-11(9)15/h3-4,7,12H,5-6,8,16H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanylbutanamide?
(2R)-2-amino-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanylbutanamide has a molecular weight of 321.27 g/mol, XLogP of 3.03, 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-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 104907677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).