N-(2-methoxy-5-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide

C24H21N3O4S — CID 5045494

IUPACN-(2-methoxy-5-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C24H21N3O4S/c1-16-8-13-21(31-2)20(15-16)26-24(28)18-9-11-19(12-10-18)27-32(29,30)22-7-3-5-17-6-4-14-25-23(17)22/h3-15,27H,1-2H3,(H,26,28)
InChIKeyCPSPXOLARVGBLH-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.60
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide

N-(2-methoxy-5-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide (PubChem CID 5045494) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
PubChem CID5045494
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C24H21N3O4S/c1-16-8-13-21(31-2)20(15-16)26-24(28)18-9-11-19(12-10-18)27-32(29,30)22-7-3-5-17-6-4-14-25-23(17)22/h3-15,27H,1-2H3,(H,26,28)
InChIKeyCPSPXOLARVGBLH-UHFFFAOYSA-N
XLogP4.60
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide (CID 5045494) is N-(2-methoxy-5-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide is COc1ccc(C)cc1NC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
The InChIKey is CPSPXOLARVGBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-16-8-13-21(31-2)20(15-16)26-24(28)18-9-11-19(12-10-18)27-32(29,30)22-7-3-5-17-6-4-14-25-23(17)22/h3-15,27H,1-2H3,(H,26,28).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
N-(2-methoxy-5-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide has a molecular weight of 447.52 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide is sourced from PubChem (CID 5045494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).