(2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide

C17H20N2OS — CID 61254196

IUPAC(2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-12(2)16(18)17(20)19-14-10-6-7-11-15(14)21-13-8-4-3-5-9-13/h3-12,16H,18H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyTZVNWJNWEKQGEB-INIZCTEOSA-N
MW300.43 g/mol
LogP3.76
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide

(2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide (PubChem CID 61254196) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide
PubChem CID61254196
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-12(2)16(18)17(20)19-14-10-6-7-11-15(14)21-13-8-4-3-5-9-13/h3-12,16H,18H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyTZVNWJNWEKQGEB-INIZCTEOSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide
CID 54862879
2-amino-N-(2-phenylsulfanylphenyl)pentanamide
CID 61253814
2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide
CID 4053686
(2S)-2-amino-3-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61179824
2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119262319
2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide
CID 43702617
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
4-amino-N-(2-phenylsulfanylphenyl)butanamide
CID 61253617
1-pentan-3-yl-3-(2-phenylsulfanylphenyl)urea
CID 108888275
1-[(2S)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidin-1-ium-4-carboxamide
CID 9443644
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
CID 94011837
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide (CID 61254196) is (2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide is CC(C)[C@H](N)C(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide?
The InChIKey is TZVNWJNWEKQGEB-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12(2)16(18)17(20)19-14-10-6-7-11-15(14)21-13-8-4-3-5-9-13/h3-12,16H,18H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide?
(2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide has a molecular weight of 300.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide is sourced from PubChem (CID 61254196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).