2-hydroxy-N-(1-methylsulfonylazetidin-3-yl)-3-phenylpropanamide

C13H18N2O4S — CID 171697834

IUPAC2-hydroxy-N-(1-methylsulfonylazetidin-3-yl)-3-phenylpropanamide
SMILESCS(=O)(=O)N1CC(NC(=O)C(O)Cc2ccccc2)C1
InChIInChI=1S/C13H18N2O4S/c1-20(18,19)15-8-11(9-15)14-13(17)12(16)7-10-5-3-2-4-6-10/h2-6,11-12,16H,7-9H2,1H3,(H,14,17)
InChIKeyWQXCSHOWALZHKS-UHFFFAOYSA-N
MW298.36 g/mol
LogP-0.65
Rot. Bonds5

About 2-hydroxy-N-(1-methylsulfonylazetidin-3-yl)-3-phenylpropanamide

2-hydroxy-N-(1-methylsulfonylazetidin-3-yl)-3-phenylpropanamide (PubChem CID 171697834) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-hydroxy-N-(1-methylsulfonylazetidin-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-hydroxy-N-(1-methylsulfonylazetidin-3-yl)-3-phenylpropanamide
PubChem CID171697834
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-hydroxy-N-(1-methylsulfonylazetidin-3-yl)-3-phenylpropanamide
SMILESCS(=O)(=O)N1CC(NC(=O)C(O)Cc2ccccc2)C1
InChIInChI=1S/C13H18N2O4S/c1-20(18,19)15-8-11(9-15)14-13(17)12(16)7-10-5-3-2-4-6-10/h2-6,11-12,16H,7-9H2,1H3,(H,14,17)
InChIKeyWQXCSHOWALZHKS-UHFFFAOYSA-N
XLogP-0.65
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
N-ethyl-2-hydroxy-3-phenylpropanamide
CID 13215108
(2S)-N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-hydroxy-3-phenylpropanamide
CID 155501997
N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide
CID 51107382
N-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-4-phenylbutanamide
CID 72901003
(3aR,6aR)-2-benzyl-5-methylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 129355444
(2S)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide
CID 94811441
(2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide
CID 94811442
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048
2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287725
(2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287274

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1-methylsulfonylazetidin-3-yl)-3-phenylpropanamide?
The IUPAC name of 2-hydroxy-N-(1-methylsulfonylazetidin-3-yl)-3-phenylpropanamide (CID 171697834) is 2-hydroxy-N-(1-methylsulfonylazetidin-3-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-hydroxy-N-(1-methylsulfonylazetidin-3-yl)-3-phenylpropanamide?
The canonical SMILES for 2-hydroxy-N-(1-methylsulfonylazetidin-3-yl)-3-phenylpropanamide is CS(=O)(=O)N1CC(NC(=O)C(O)Cc2ccccc2)C1.
What is the InChIKey of 2-hydroxy-N-(1-methylsulfonylazetidin-3-yl)-3-phenylpropanamide?
The InChIKey is WQXCSHOWALZHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-20(18,19)15-8-11(9-15)14-13(17)12(16)7-10-5-3-2-4-6-10/h2-6,11-12,16H,7-9H2,1H3,(H,14,17).
What are the key properties of 2-hydroxy-N-(1-methylsulfonylazetidin-3-yl)-3-phenylpropanamide?
2-hydroxy-N-(1-methylsulfonylazetidin-3-yl)-3-phenylpropanamide has a molecular weight of 298.36 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1-methylsulfonylazetidin-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 171697834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).