N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-morpholin-4-ylbenzamide

C16H24N2O3S — CID 131942666

IUPACN-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-morpholin-4-ylbenzamide
SMILESCSCC[C@@H](CO)NC(=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C16H24N2O3S/c1-22-11-6-13(12-19)17-16(20)14-4-2-3-5-15(14)18-7-9-21-10-8-18/h2-5,13,19H,6-12H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyBHFMXWWOBBQXBL-ZDUSSCGKSA-N
MW324.45 g/mol
LogP1.37
Rot. Bonds7

About N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-morpholin-4-ylbenzamide

N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-morpholin-4-ylbenzamide (PubChem CID 131942666) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-morpholin-4-ylbenzamide
PubChem CID131942666
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-morpholin-4-ylbenzamide
SMILESCSCC[C@@H](CO)NC(=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C16H24N2O3S/c1-22-11-6-13(12-19)17-16(20)14-4-2-3-5-15(14)18-7-9-21-10-8-18/h2-5,13,19H,6-12H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyBHFMXWWOBBQXBL-ZDUSSCGKSA-N
XLogP1.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-ylbenzohydrazide
CID 7148386
methylsulfanylmethyl 2-morpholin-4-ylbenzoate
CID 174939418
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-morpholin-4-ylbenzamide
CID 95132894
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide
CID 120827445
(2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate
CID 7982703
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride
CID 120827444
(2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid
CID 118763707
N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide
CID 95144214
N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide
CID 48982884
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
N-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide
CID 50956729
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide
CID 60621982

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-morpholin-4-ylbenzamide (CID 131942666) is N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-morpholin-4-ylbenzamide is CSCC[C@@H](CO)NC(=O)c1ccccc1N1CCOCC1.
What is the InChIKey of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-morpholin-4-ylbenzamide?
The InChIKey is BHFMXWWOBBQXBL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-22-11-6-13(12-19)17-16(20)14-4-2-3-5-15(14)18-7-9-21-10-8-18/h2-5,13,19H,6-12H2,1H3,(H,17,20)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-morpholin-4-ylbenzamide?
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-morpholin-4-ylbenzamide has a molecular weight of 324.45 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 131942666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).