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

C17H17NO4S — CID 11290475

IUPAC(2R)-2-(3-benzoylphenyl)-N-methylsulfonylpropanamide
SMILESC[C@@H](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)/t12-/m1/s1
InChIKeyFBSNJHDSPWXBFF-GFCCVEGCSA-N
MW331.39 g/mol
LogP2.10
Rot. Bonds5

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

(2R)-2-(3-benzoylphenyl)-N-methylsulfonylpropanamide (PubChem CID 11290475) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is (2R)-2-(3-benzoylphenyl)-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-2-(3-benzoylphenyl)-N-methylsulfonylpropanamide
PubChem CID11290475
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name(2R)-2-(3-benzoylphenyl)-N-methylsulfonylpropanamide
SMILESC[C@@H](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)/t12-/m1/s1
InChIKeyFBSNJHDSPWXBFF-GFCCVEGCSA-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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Related Compounds

2-(3-Benzoyl-5-ethyl-phenyl)-ethenesulfonic acid amide
CID 9839884
4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684279
(2R)-4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684306
Ketoprofen amide
CID 3042314
2-[3-Benzoyl-5-(2-methyl-propenyl)-phenyl]-ethenesulfonic acid amide
CID 44366732
3-(3-Benzoyl-5-ethyl-phenyl)-acrylamide
CID 44366749
Acetamide, 2-(m-benzoylphenyl)-
CID 212258
2-(3-Acetyl-5-benzoyl-phenyl)-ethenesulfonic acid amide
CID 44366863
2-[2-methyl-4-(2-methylpropyl)phenyl]-N-methylsulfonylacetamide
CID 10356476
(2S)-2-(3-benzoylphenyl)-N-methylsulfonylpropanamide
CID 11244434
(2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide
CID 11255697
(2R)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide
CID 11267195

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-benzoylphenyl)-N-methylsulfonylpropanamide?
The IUPAC name of (2R)-2-(3-benzoylphenyl)-N-methylsulfonylpropanamide (CID 11290475) is (2R)-2-(3-benzoylphenyl)-N-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-2-(3-benzoylphenyl)-N-methylsulfonylpropanamide?
The canonical SMILES for (2R)-2-(3-benzoylphenyl)-N-methylsulfonylpropanamide is C[C@@H](C(=O)NS(C)(=O)=O)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of (2R)-2-(3-benzoylphenyl)-N-methylsulfonylpropanamide?
The InChIKey is FBSNJHDSPWXBFF-GFCCVEGCSA-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)/t12-/m1/s1.
What are the key properties of (2R)-2-(3-benzoylphenyl)-N-methylsulfonylpropanamide?
(2R)-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 (2R)-2-(3-benzoylphenyl)-N-methylsulfonylpropanamide is sourced from PubChem (CID 11290475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).