N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide

C17H19NO3S — CID 110771325

IUPACN-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)c1C
InChIInChI=1S/C17H19NO3S/c1-12-5-4-6-16(13(12)2)18-17(19)11-14-7-9-15(10-8-14)22(3,20)21/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyLQGMYODMBKCUJM-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.89
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide

N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 110771325) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide
PubChem CID110771325
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)c1C
InChIInChI=1S/C17H19NO3S/c1-12-5-4-6-16(13(12)2)18-17(19)11-14-7-9-15(10-8-14)22(3,20)21/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyLQGMYODMBKCUJM-UHFFFAOYSA-N
XLogP2.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 2599603
N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439313
2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide
CID 110771330
N-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110437458
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 126236704
2-[4-(ethylsulfamoyl)phenyl]-N-(2-methylphenyl)acetamide
CID 75506253
N-(2,3-dimethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228165
2-[2-(aminomethyl)phenyl]-N-(2,3-dimethylphenyl)acetamide
CID 81317941
2-(2-aminophenyl)-N-(2,3-dimethylphenyl)acetamide
CID 16794842
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113154012

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide (CID 110771325) is N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide is Cc1cccc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is LQGMYODMBKCUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12-5-4-6-16(13(12)2)18-17(19)11-14-7-9-15(10-8-14)22(3,20)21/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide?
N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 110771325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).