N-(5-chloro-2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide

C25H22ClN3O4S — CID 20950523

IUPACN-(5-chloro-2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C25H22ClN3O4S/c1-33-22-13-12-19(26)16-20(22)28-25(30)21(15-17-7-3-2-4-8-17)29-34(31,32)23-11-5-9-18-10-6-14-27-24(18)23/h2-14,16,21,29H,15H2,1H3,(H,28,30)
InChIKeyPHDNRMIXEXGLFJ-UHFFFAOYSA-N
MW495.99 g/mol
LogP4.43
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide

N-(5-chloro-2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide (PubChem CID 20950523) has the molecular formula C25H22ClN3O4S and a molecular weight of 495.99 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
PubChem CID20950523
Molecular FormulaC25H22ClN3O4S
Molecular Weight495.99 g/mol
Exact Mass495.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C25H22ClN3O4S/c1-33-22-13-12-19(26)16-20(22)28-25(30)21(15-17-7-3-2-4-8-17)29-34(31,32)23-11-5-9-18-10-6-14-27-24(18)23/h2-14,16,21,29H,15H2,1H3,(H,28,30)
InChIKeyPHDNRMIXEXGLFJ-UHFFFAOYSA-N
XLogP4.43
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide (CID 20950523) is N-(5-chloro-2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide is COc1ccc(Cl)cc1NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The InChIKey is PHDNRMIXEXGLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O4S/c1-33-22-13-12-19(26)16-20(22)28-25(30)21(15-17-7-3-2-4-8-17)29-34(31,32)23-11-5-9-18-10-6-14-27-24(18)23/h2-14,16,21,29H,15H2,1H3,(H,28,30).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
N-(5-chloro-2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide has a molecular weight of 495.99 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide is sourced from PubChem (CID 20950523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).