N-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide

C13H17NO4S — CID 110612634

IUPACN-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide
SMILESCC(=O)c1ccc(C)c(NC(=O)CCS(C)(=O)=O)c1
InChIInChI=1S/C13H17NO4S/c1-9-4-5-11(10(2)15)8-12(9)14-13(16)6-7-19(3,17)18/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyFTXKSCHQEXIFDH-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.57
Rot. Bonds5

About N-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide

N-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide (PubChem CID 110612634) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide
PubChem CID110612634
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC NameN-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide
SMILESCC(=O)c1ccc(C)c(NC(=O)CCS(C)(=O)=O)c1
InChIInChI=1S/C13H17NO4S/c1-9-4-5-11(10(2)15)8-12(9)14-13(16)6-7-19(3,17)18/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyFTXKSCHQEXIFDH-UHFFFAOYSA-N
XLogP1.57
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110618430
methyl 3-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate
CID 2231397
N-[5-(4-fluoro-3-methylbenzoyl)-2-methoxyphenyl]-3-methylsulfonylpropanamide
CID 110613477
N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110604119
N-(5-acetyl-2-methylphenyl)-3-methyl-3-phenylbutanamide
CID 110618397
3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide
CID 172665679
1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone
CID 110612637
N-(2-chlorophenyl)-3-methylsulfonylpropanamide
CID 47160250
3-methylsulfonyl-N-naphthalen-1-ylpropanamide
CID 127504646
1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea
CID 110612624
N-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide
CID 110343380
4-methyl-3-(propanoylamino)benzoic acid
CID 888092

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide (CID 110612634) is N-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide is CC(=O)c1ccc(C)c(NC(=O)CCS(C)(=O)=O)c1.
What is the InChIKey of N-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide?
The InChIKey is FTXKSCHQEXIFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9-4-5-11(10(2)15)8-12(9)14-13(16)6-7-19(3,17)18/h4-5,8H,6-7H2,1-3H3,(H,14,16).
What are the key properties of N-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide?
N-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide has a molecular weight of 283.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 110612634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).