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

C26H25N3O4S — CID 20950518

IUPACN-[(3-methoxyphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESCOc1cccc(CNC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C26H25N3O4S/c1-33-22-13-5-10-20(16-22)18-28-26(30)23(17-19-8-3-2-4-9-19)29-34(31,32)24-14-6-11-21-12-7-15-27-25(21)24/h2-16,23,29H,17-18H2,1H3,(H,28,30)
InChIKeyBHXGRIUNHJHVNX-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.45
Rot. Bonds9

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

N-[(3-methoxyphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide (PubChem CID 20950518) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
PubChem CID20950518
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESCOc1cccc(CNC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C26H25N3O4S/c1-33-22-13-5-10-20(16-22)18-28-26(30)23(17-19-8-3-2-4-9-19)29-34(31,32)24-14-6-11-21-12-7-15-27-25(21)24/h2-16,23,29H,17-18H2,1H3,(H,28,30)
InChIKeyBHXGRIUNHJHVNX-UHFFFAOYSA-N
XLogP3.45
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide (CID 20950518) is N-[(3-methoxyphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide is COc1cccc(CNC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The InChIKey is BHXGRIUNHJHVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-33-22-13-5-10-20(16-22)18-28-26(30)23(17-19-8-3-2-4-9-19)29-34(31,32)24-14-6-11-21-12-7-15-27-25(21)24/h2-16,23,29H,17-18H2,1H3,(H,28,30).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
N-[(3-methoxyphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide has a molecular weight of 475.57 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide is sourced from PubChem (CID 20950518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).