2-(3-benzoylphenyl)-N-methylsulfonylpropanamide

C17H17NO4S — CID 22491108

IUPAC2-(3-benzoylphenyl)-N-methylsulfonylpropanamide
SMILESCC(C(=O)NS(C)(=O)=O)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C17H17NO4S/c1-12(17(20)18-23(2,21)22)14-9-6-10-15(11-14)16(19)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,18,20)
InChIKeyFBSNJHDSPWXBFF-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.10
Rot. Bonds5

About 2-(3-benzoylphenyl)-N-methylsulfonylpropanamide

2-(3-benzoylphenyl)-N-methylsulfonylpropanamide (PubChem CID 22491108) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-(3-benzoylphenyl)-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name2-(3-benzoylphenyl)-N-methylsulfonylpropanamide
PubChem CID22491108
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name2-(3-benzoylphenyl)-N-methylsulfonylpropanamide
SMILESCC(C(=O)NS(C)(=O)=O)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C17H17NO4S/c1-12(17(20)18-23(2,21)22)14-9-6-10-15(11-14)16(19)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,18,20)
InChIKeyFBSNJHDSPWXBFF-UHFFFAOYSA-N
XLogP2.10
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylphenyl)-N-methylsulfonylpropanamide?
The IUPAC name of 2-(3-benzoylphenyl)-N-methylsulfonylpropanamide (CID 22491108) is 2-(3-benzoylphenyl)-N-methylsulfonylpropanamide.
What is the SMILES notation for 2-(3-benzoylphenyl)-N-methylsulfonylpropanamide?
The canonical SMILES for 2-(3-benzoylphenyl)-N-methylsulfonylpropanamide is CC(C(=O)NS(C)(=O)=O)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-benzoylphenyl)-N-methylsulfonylpropanamide?
The InChIKey is FBSNJHDSPWXBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-12(17(20)18-23(2,21)22)14-9-6-10-15(11-14)16(19)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,18,20).
What are the key properties of 2-(3-benzoylphenyl)-N-methylsulfonylpropanamide?
2-(3-benzoylphenyl)-N-methylsulfonylpropanamide has a molecular weight of 331.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylphenyl)-N-methylsulfonylpropanamide is sourced from PubChem (CID 22491108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).