N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide

C17H17NO4S — CID 26067648

IUPACN-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C17H17NO4S/c1-12(19)15-5-3-4-6-16(15)18-17(20)14-9-7-13(8-10-14)11-23(2,21)22/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyNJVNWBOAQWWEPQ-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.69
Rot. Bonds5

About N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide

N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide (PubChem CID 26067648) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide
PubChem CID26067648
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC NameN-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C17H17NO4S/c1-12(19)15-5-3-4-6-16(15)18-17(20)14-9-7-13(8-10-14)11-23(2,21)22/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyNJVNWBOAQWWEPQ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylsulfonylmethyl)-N-(2-propan-2-ylphenyl)benzamide
CID 9094036
4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide
CID 51316561
N-(2-acetylphenyl)-4-phenylbenzamide
CID 4799727
N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8749517
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 16592625
N-(2,4-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 9095339
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 55699242
N-(2-acetylphenyl)-3-amino-4-methylbenzamide
CID 110488218
N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide
CID 9442397
N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide
CID 55934258
methyl 4-methyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzoate
CID 4822407

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide (CID 26067648) is N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide is CC(=O)c1ccccc1NC(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide?
The InChIKey is NJVNWBOAQWWEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-12(19)15-5-3-4-6-16(15)18-17(20)14-9-7-13(8-10-14)11-23(2,21)22/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide?
N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide has a molecular weight of 331.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 26067648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).