N-methyl-3-methylsulfonyl-2-oxo-N-phenylpropanamide

C11H13NO4S — CID 67934309

IUPACN-methyl-3-methylsulfonyl-2-oxo-N-phenylpropanamide
SMILESCN(C(=O)C(=O)CS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C11H13NO4S/c1-12(9-6-4-3-5-7-9)11(14)10(13)8-17(2,15)16/h3-7H,8H2,1-2H3
InChIKeyPHBSHTUIVCSGKD-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.26
Rot. Bonds4

About N-methyl-3-methylsulfonyl-2-oxo-N-phenylpropanamide

N-methyl-3-methylsulfonyl-2-oxo-N-phenylpropanamide (PubChem CID 67934309) has the molecular formula C11H13NO4S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-methyl-3-methylsulfonyl-2-oxo-N-phenylpropanamide.

Molecular Properties

Compound NameN-methyl-3-methylsulfonyl-2-oxo-N-phenylpropanamide
PubChem CID67934309
Molecular FormulaC11H13NO4S
Molecular Weight255.30 g/mol
Exact Mass255.06
IUPAC NameN-methyl-3-methylsulfonyl-2-oxo-N-phenylpropanamide
SMILESCN(C(=O)C(=O)CS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C11H13NO4S/c1-12(9-6-4-3-5-7-9)11(14)10(13)8-17(2,15)16/h3-7H,8H2,1-2H3
InChIKeyPHBSHTUIVCSGKD-UHFFFAOYSA-N
XLogP0.26
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfonyl-2-oxo-N-phenylpropanamide?
The IUPAC name of N-methyl-3-methylsulfonyl-2-oxo-N-phenylpropanamide (CID 67934309) is N-methyl-3-methylsulfonyl-2-oxo-N-phenylpropanamide.
What is the SMILES notation for N-methyl-3-methylsulfonyl-2-oxo-N-phenylpropanamide?
The canonical SMILES for N-methyl-3-methylsulfonyl-2-oxo-N-phenylpropanamide is CN(C(=O)C(=O)CS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-methyl-3-methylsulfonyl-2-oxo-N-phenylpropanamide?
The InChIKey is PHBSHTUIVCSGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-12(9-6-4-3-5-7-9)11(14)10(13)8-17(2,15)16/h3-7H,8H2,1-2H3.
What are the key properties of N-methyl-3-methylsulfonyl-2-oxo-N-phenylpropanamide?
N-methyl-3-methylsulfonyl-2-oxo-N-phenylpropanamide has a molecular weight of 255.30 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonyl-2-oxo-N-phenylpropanamide is sourced from PubChem (CID 67934309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).