N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide

C13H19NO2S — CID 79252526

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C13H19NO2S/c1-9(2)11(8-15)14-13(16)10-6-4-5-7-12(10)17-3/h4-7,9,11,15H,8H2,1-3H3,(H,14,16)/t11-/m1/s1
InChIKeyBCUFRIQORJOIDX-LLVKDONJSA-N
MW253.37 g/mol
LogP2.16
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide (PubChem CID 79252526) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide
PubChem CID79252526
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C13H19NO2S/c1-9(2)11(8-15)14-13(16)10-6-4-5-7-12(10)17-3/h4-7,9,11,15H,8H2,1-3H3,(H,14,16)/t11-/m1/s1
InChIKeyBCUFRIQORJOIDX-LLVKDONJSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-iodo-3-methylbutan-2-yl)-2-methylsulfanylbenzamide
CID 107860038
2,3-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249315
N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide
CID 104873008
N-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide
CID 114299364
2-chloro-3-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 81461590
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide
CID 79247451
(2S)-4-hydroxy-2-[(2-methylsulfanylbenzoyl)amino]butanoic acid
CID 114004889
(2R)-4-hydroxy-2-[(2-methylsulfanylbenzoyl)amino]butanoic acid
CID 107823547
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylsulfanylbenzamide
CID 79206171
2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybenzamide
CID 75498984
N-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide
CID 112820701
2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 39964497

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide (CID 79252526) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)N[C@H](CO)C(C)C.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide?
The InChIKey is BCUFRIQORJOIDX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9(2)11(8-15)14-13(16)10-6-4-5-7-12(10)17-3/h4-7,9,11,15H,8H2,1-3H3,(H,14,16)/t11-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide has a molecular weight of 253.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 79252526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).