2-(2,4-dimethylquinolin-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

C22H24N2O3S — CID 55433228

IUPAC2-(2,4-dimethylquinolin-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C22H24N2O3S/c1-14-19-7-5-6-8-21(19)23-16(3)20(14)13-22(25)24-15(2)17-9-11-18(12-10-17)28(4,26)27/h5-12,15H,13H2,1-4H3,(H,24,25)
InChIKeyNAQQRVBHECGFLV-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.68
Rot. Bonds5

About 2-(2,4-dimethylquinolin-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

2-(2,4-dimethylquinolin-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 55433228) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID55433228
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name2-(2,4-dimethylquinolin-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C22H24N2O3S/c1-14-19-7-5-6-8-21(19)23-16(3)20(14)13-22(25)24-15(2)17-9-11-18(12-10-17)28(4,26)27/h5-12,15H,13H2,1-4H3,(H,24,25)
InChIKeyNAQQRVBHECGFLV-UHFFFAOYSA-N
XLogP3.68
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 55433228) is 2-(2,4-dimethylquinolin-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is Cc1nc2ccccc2c(C)c1CC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is NAQQRVBHECGFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-14-19-7-5-6-8-21(19)23-16(3)20(14)13-22(25)24-15(2)17-9-11-18(12-10-17)28(4,26)27/h5-12,15H,13H2,1-4H3,(H,24,25).
What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-(2,4-dimethylquinolin-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 396.51 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylquinolin-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 55433228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).