N-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide

C26H25N3O3S — CID 20796159

IUPACN-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide
SMILESCCC(NC(=O)c1ccccc1NS(=O)(=O)c1cccc2cccnc12)c1ccc(C)cc1
InChIInChI=1S/C26H25N3O3S/c1-3-22(19-15-13-18(2)14-16-19)28-26(30)21-10-4-5-11-23(21)29-33(31,32)24-12-6-8-20-9-7-17-27-25(20)24/h4-17,22,29H,3H2,1-2H3,(H,28,30)
InChIKeySJZAIMFPZQPFCU-UHFFFAOYSA-N
MW459.57 g/mol
LogP5.23
Rot. Bonds7

About N-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide

N-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide (PubChem CID 20796159) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide
PubChem CID20796159
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC NameN-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide
SMILESCCC(NC(=O)c1ccccc1NS(=O)(=O)c1cccc2cccnc12)c1ccc(C)cc1
InChIInChI=1S/C26H25N3O3S/c1-3-22(19-15-13-18(2)14-16-19)28-26(30)21-10-4-5-11-23(21)29-33(31,32)24-12-6-8-20-9-7-17-27-25(20)24/h4-17,22,29H,3H2,1-2H3,(H,28,30)
InChIKeySJZAIMFPZQPFCU-UHFFFAOYSA-N
XLogP5.23
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide;molecular hydrogen
CID 159626973
N-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide
CID 51929652
5-fluoro-N-(1-phenylprop-2-ynyl)-2-(quinolin-8-ylsulfonylamino)benzamide;5-methoxy-N-[(1S)-1-phenylpropyl]-2-(pyridin-2-ylsulfonylamino)benzamide;5-methoxy-N-(1-phenylprop-2-ynyl)-2-(quinolin-8-ylsulfonylamino)benzamide;N-[(1S)-1-phenylpropyl]-2-(pyridin-2-ylsulfonylamino)benzamide;N-(1-phenylprop-2-ynyl)-2-(quinolin-8-ylsulfonylamino)benzamide
CID 158914086
N-cyclohexyl-2-(quinolin-8-ylsulfonylamino)benzamide
CID 7573778
5-fluoro-N-[1-[2-(2-iminoethyl)phenyl]propyl]-2-(quinolin-8-ylsulfonylamino)benzamide
CID 163644939
sodium [4-fluoro-2-[[(1S)-1-phenylpropyl]carbamoyl]phenyl]-quinolin-8-ylsulfonylazanide
CID 24852044
(E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide
CID 24623993
4-methyl-N-[1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 43906098
4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 30400896
N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 67013162
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
N-[1-(furan-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 58892085

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide (CID 20796159) is N-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide is CCC(NC(=O)c1ccccc1NS(=O)(=O)c1cccc2cccnc12)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide?
The InChIKey is SJZAIMFPZQPFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-3-22(19-15-13-18(2)14-16-19)28-26(30)21-10-4-5-11-23(21)29-33(31,32)24-12-6-8-20-9-7-17-27-25(20)24/h4-17,22,29H,3H2,1-2H3,(H,28,30).
What are the key properties of N-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide?
N-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide has a molecular weight of 459.57 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide is sourced from PubChem (CID 20796159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).