(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide

C14H20Cl2N2OS — CID 119308693

IUPAC(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2OS/c1-9(18-14(19)13(17)5-6-20-2)7-10-3-4-11(15)8-12(10)16/h3-4,8-9,13H,5-7,17H2,1-2H3,(H,18,19)/t9?,13-/m0/s1
InChIKeyWMIIMJOQRTTXJB-NCWAPJAISA-N
MW335.30 g/mol
LogP3.12
Rot. Bonds7

About (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide

(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide (PubChem CID 119308693) has the molecular formula C14H20Cl2N2OS and a molecular weight of 335.30 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide
PubChem CID119308693
Molecular FormulaC14H20Cl2N2OS
Molecular Weight335.30 g/mol
Exact Mass334.07
IUPAC Name(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2OS/c1-9(18-14(19)13(17)5-6-20-2)7-10-3-4-11(15)8-12(10)16/h3-4,8-9,13H,5-7,17H2,1-2H3,(H,18,19)/t9?,13-/m0/s1
InChIKeyWMIIMJOQRTTXJB-NCWAPJAISA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide
CID 61156330
N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide
CID 60619061
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride
CID 119757977
(2S)-2-amino-N-[1-(2-bromophenyl)propan-2-yl]-4-methylsulfanylbutanamide
CID 119341140
4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride
CID 120561607
(2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide
CID 95281623
(2R)-2-amino-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanylbutanamide
CID 104907677
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 120506356
(2R)-2-amino-N-(5-chloro-2-methylphenyl)-4-methylsulfanylbutanamide
CID 104906873
(2S)-2-(carbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 2161581
(2S)-2-amino-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119306639
(2R)-2-amino-4-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 104907286

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide (CID 119308693) is (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NC(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide?
The InChIKey is WMIIMJOQRTTXJB-NCWAPJAISA-N. The full InChI is InChI=1S/C14H20Cl2N2OS/c1-9(18-14(19)13(17)5-6-20-2)7-10-3-4-11(15)8-12(10)16/h3-4,8-9,13H,5-7,17H2,1-2H3,(H,18,19)/t9?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide?
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide has a molecular weight of 335.30 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 119308693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).