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

C22H25N3O3S — CID 55726824

IUPACN-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NCCS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C22H25N3O3S/c1-16-19-10-6-7-11-21(19)25-17(2)20(16)14-22(26)23-12-13-29(27,28)24-15-18-8-4-3-5-9-18/h3-11,24H,12-15H2,1-2H3,(H,23,26)
InChIKeyKHCCESIPFWIDOR-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.63
Rot. Bonds8

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

N-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide (PubChem CID 55726824) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
PubChem CID55726824
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NCCS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C22H25N3O3S/c1-16-19-10-6-7-11-21(19)25-17(2)20(16)14-22(26)23-12-13-29(27,28)24-15-18-8-4-3-5-9-18/h3-11,24H,12-15H2,1-2H3,(H,23,26)
InChIKeyKHCCESIPFWIDOR-UHFFFAOYSA-N
XLogP2.63
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 27861043
2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 18160718
2-(2,4-dimethylquinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 27256543
2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 17393557
2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 55708866
2-(2,4-dimethylquinolin-3-yl)-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 52706430
2-amino-N-[2-(benzylsulfamoyl)ethyl]acetamide
CID 119289553
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 134039609
2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide
CID 32925933
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 78810073
2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436050
N-[2-(benzylsulfamoyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55726450

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide (CID 55726824) is N-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide.
What is the SMILES notation for N-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The canonical SMILES for N-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide is Cc1nc2ccccc2c(C)c1CC(=O)NCCS(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The InChIKey is KHCCESIPFWIDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-16-19-10-6-7-11-21(19)25-17(2)20(16)14-22(26)23-12-13-29(27,28)24-15-18-8-4-3-5-9-18/h3-11,24H,12-15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
N-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide has a molecular weight of 411.53 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide is sourced from PubChem (CID 55726824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).