N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide

C26H23N3O4S — CID 1358755

IUPACN-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C26H23N3O4S/c1-3-18-8-10-19(11-9-18)25-16-23(22-6-4-5-7-24(22)28-25)26(31)27-20-12-14-21(15-13-20)34(32,33)29-17(2)30/h4-16H,3H2,1-2H3,(H,27,31)(H,29,30)
InChIKeyBFDIEQUQKQXLAS-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.54
Rot. Bonds6

About N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide

N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide (PubChem CID 1358755) has the molecular formula C26H23N3O4S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
PubChem CID1358755
Molecular FormulaC26H23N3O4S
Molecular Weight473.55 g/mol
Exact Mass473.14
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C26H23N3O4S/c1-3-18-8-10-19(11-9-18)25-16-23(22-6-4-5-7-24(22)28-25)26(31)27-20-12-14-21(15-13-20)34(32,33)29-17(2)30/h4-16H,3H2,1-2H3,(H,27,31)(H,29,30)
InChIKeyBFDIEQUQKQXLAS-UHFFFAOYSA-N
XLogP4.54
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide
CID 3285016
methane;N-[4-(methylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 160607746
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1292635
N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 21227643
2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 2439803
N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane
CID 158402633
2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 3672707
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4622213
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051
2-(4-ethylphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2163462
N-(2,3-dimethylphenyl)-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 5141329

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide (CID 1358755) is N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide is CCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)c3ccccc3n2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide?
The InChIKey is BFDIEQUQKQXLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4S/c1-3-18-8-10-19(11-9-18)25-16-23(22-6-4-5-7-24(22)28-25)26(31)27-20-12-14-21(15-13-20)34(32,33)29-17(2)30/h4-16H,3H2,1-2H3,(H,27,31)(H,29,30).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1358755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).