N-(2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide

C25H23N3O4S — CID 20880633

IUPACN-(2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESCOc1ccccc1NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C25H23N3O4S/c1-32-22-14-6-5-13-20(22)27-25(29)21(17-18-9-3-2-4-10-18)28-33(30,31)23-15-7-11-19-12-8-16-26-24(19)23/h2-16,21,28H,17H2,1H3,(H,27,29)
InChIKeyRJSKPWFYPOUSBB-UHFFFAOYSA-N
MW461.54 g/mol
LogP3.77
Rot. Bonds8

About N-(2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide

N-(2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide (PubChem CID 20880633) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
PubChem CID20880633
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC NameN-(2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESCOc1ccccc1NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C25H23N3O4S/c1-32-22-14-6-5-13-20(22)27-25(29)21(17-18-9-3-2-4-10-18)28-33(30,31)23-15-7-11-19-12-8-16-26-24(19)23/h2-16,21,28H,17H2,1H3,(H,27,29)
InChIKeyRJSKPWFYPOUSBB-UHFFFAOYSA-N
XLogP3.77
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide (CID 20880633) is N-(2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide is COc1ccccc1NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The InChIKey is RJSKPWFYPOUSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-32-22-14-6-5-13-20(22)27-25(29)21(17-18-9-3-2-4-10-18)28-33(30,31)23-15-7-11-19-12-8-16-26-24(19)23/h2-16,21,28H,17H2,1H3,(H,27,29).
What are the key properties of N-(2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
N-(2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide has a molecular weight of 461.54 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide is sourced from PubChem (CID 20880633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).