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

C17H19NO3S — CID 110439313

IUPACN-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccccc2S(C)(=O)=O)c1C
InChIInChI=1S/C17H19NO3S/c1-12-7-6-9-15(13(12)2)18-17(19)11-14-8-4-5-10-16(14)22(3,20)21/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyIYOCITKPMIJNKC-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.89
Rot. Bonds4

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

N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide (PubChem CID 110439313) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide
PubChem CID110439313
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccccc2S(C)(=O)=O)c1C
InChIInChI=1S/C17H19NO3S/c1-12-7-6-9-15(13(12)2)18-17(19)11-14-8-4-5-10-16(14)22(3,20)21/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyIYOCITKPMIJNKC-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-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
N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771325
N-(3-acetamido-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 39975983
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)acetyl]amino]phenyl]acetamide
CID 26164464
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2-benzylphenyl)-2-(2,3-dimethylanilino)acetamide
CID 9080869
2-[(2-chlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943189
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 2599603
N-(2,3-dimethylphenyl)-2-pyridin-2-ylacetamide
CID 110696972

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide (CID 110439313) is N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide is Cc1cccc(NC(=O)Cc2ccccc2S(C)(=O)=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide?
The InChIKey is IYOCITKPMIJNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12-7-6-9-15(13(12)2)18-17(19)11-14-8-4-5-10-16(14)22(3,20)21/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide?
N-(2,3-dimethylphenyl)-2-(2-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-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 110439313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).