N-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide

C17H17NO4S — CID 110439305

IUPACN-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cc2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C17H17NO4S/c1-12(19)13-7-9-15(10-8-13)18-17(20)11-14-5-3-4-6-16(14)23(2,21)22/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyMQHYQEMHONAFIG-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.47
Rot. Bonds5

About N-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide

N-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide (PubChem CID 110439305) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide
PubChem CID110439305
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC NameN-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cc2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C17H17NO4S/c1-12(19)13-7-9-15(10-8-13)18-17(20)11-14-5-3-4-6-16(14)23(2,21)22/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyMQHYQEMHONAFIG-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439306
N-(4-acetylphenyl)-2-(2-methylphenyl)acetamide
CID 24696355
N-methyl-2-(2-methylsulfonylphenyl)acetamide
CID 110487093
N-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439326
N-(4-acetylphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112999662
N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439313
N-(4-acetylphenyl)-N'-(2-ethylphenyl)propanediamide
CID 108953959
N-(4-acetylphenyl)-2-naphthalen-2-ylacetamide
CID 16849660
N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide
CID 113142761
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide
CID 110436884
N-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151216

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide (CID 110439305) is N-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide is CC(=O)c1ccc(NC(=O)Cc2ccccc2S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide?
The InChIKey is MQHYQEMHONAFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-12(19)13-7-9-15(10-8-13)18-17(20)11-14-5-3-4-6-16(14)23(2,21)22/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of N-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide?
N-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide has a molecular weight of 331.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 110439305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).