N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide

C17H18N2O4S — CID 110439306

IUPACN-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cc2ccccc2S(C)(=O)=O)c1
InChIInChI=1S/C17H18N2O4S/c1-12(20)18-14-7-5-8-15(11-14)19-17(21)10-13-6-3-4-9-16(13)24(2,22)23/h3-9,11H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyJTOGYPRWRXUVFP-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.23
Rot. Bonds5

About N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide

N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide (PubChem CID 110439306) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide
PubChem CID110439306
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cc2ccccc2S(C)(=O)=O)c1
InChIInChI=1S/C17H18N2O4S/c1-12(20)18-14-7-5-8-15(11-14)19-17(21)10-13-6-3-4-9-16(13)24(2,22)23/h3-9,11H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyJTOGYPRWRXUVFP-UHFFFAOYSA-N
XLogP2.23
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439326
N-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439305
N-(3-acetamidophenyl)-2-(2-chlorophenyl)acetamide
CID 7914432
N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439313
N-(3-acetamidophenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112999723
N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154134
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093
N-(3-acetamidophenyl)-2-pyridin-2-ylacetamide
CID 110697004
N-(3-acetamidophenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914502
N-(3-acetamidophenyl)-2-(1,3-benzodioxol-4-yl)acetamide
CID 110861232
2,2-dimethyl-N-[3-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
CID 26163504
N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide
CID 42560660

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide (CID 110439306) is N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide is CC(=O)Nc1cccc(NC(=O)Cc2ccccc2S(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide?
The InChIKey is JTOGYPRWRXUVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12(20)18-14-7-5-8-15(11-14)19-17(21)10-13-6-3-4-9-16(13)24(2,22)23/h3-9,11H,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide?
N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 110439306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).