(2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide;hydrochloride

C13H20Cl2N2O3S2 — CID 119290591

IUPAC(2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H19ClN2O3S2.ClH/c1-20-8-6-12(15)13(17)16-7-9-21(18,19)11-4-2-10(14)3-5-11;/h2-5,12H,6-9,15H2,1H3,(H,16,17);1H/t12-;/m0./s1
InChIKeyOSUCODBPCWTRSO-YDALLXLXSA-N
MW387.35 g/mol
LogP1.73
Rot. Bonds8

About (2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide;hydrochloride

(2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 119290591) has the molecular formula C13H20Cl2N2O3S2 and a molecular weight of 387.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide;hydrochloride
PubChem CID119290591
Molecular FormulaC13H20Cl2N2O3S2
Molecular Weight387.35 g/mol
Exact Mass386.03
IUPAC Name(2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H19ClN2O3S2.ClH/c1-20-8-6-12(15)13(17)16-7-9-21(18,19)11-4-2-10(14)3-5-11;/h2-5,12H,6-9,15H2,1H3,(H,16,17);1H/t12-;/m0./s1
InChIKeyOSUCODBPCWTRSO-YDALLXLXSA-N
XLogP1.73
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide;hydrochloride 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-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide
CID 119290592
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride
CID 120560399
(2S)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119297358
(2S)-2-amino-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119296429
(2R)-2-amino-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 104906766
2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
CID 119290585
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
(2S)-2-amino-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119306639
(2S)-2-amino-4-methylsulfanyl-N-[3-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119322592
(2S)-2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide
CID 61156330
(2R)-2-amino-N-(5-chloro-2-methylphenyl)-4-methylsulfanylbutanamide
CID 104906873

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide;hydrochloride (CID 119290591) is (2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide;hydrochloride is CSCC[C@H](N)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is OSUCODBPCWTRSO-YDALLXLXSA-N. The full InChI is InChI=1S/C13H19ClN2O3S2.ClH/c1-20-8-6-12(15)13(17)16-7-9-21(18,19)11-4-2-10(14)3-5-11;/h2-5,12H,6-9,15H2,1H3,(H,16,17);1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide;hydrochloride?
(2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 387.35 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 119290591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).