N-benzyl-N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylsulfonylamino)benzamide

C29H24N4O3S — CID 12020675

IUPACN-benzyl-N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylsulfonylamino)benzamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1cccc2cccnc12)N(Cc1ccccc1)Cc1cccnc1
InChIInChI=1S/C29H24N4O3S/c34-29(33(20-22-9-2-1-3-10-22)21-23-11-7-17-30-19-23)25-14-4-5-15-26(25)32-37(35,36)27-16-6-12-24-13-8-18-31-28(24)27/h1-19,32H,20-21H2
InChIKeyPPHSOCROFCONHN-UHFFFAOYSA-N
MW508.60 g/mol
LogP5.27
Rot. Bonds8

About N-benzyl-N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylsulfonylamino)benzamide

N-benzyl-N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylsulfonylamino)benzamide (PubChem CID 12020675) has the molecular formula C29H24N4O3S and a molecular weight of 508.60 g/mol. Its IUPAC name is N-benzyl-N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylsulfonylamino)benzamide
PubChem CID12020675
Molecular FormulaC29H24N4O3S
Molecular Weight508.60 g/mol
Exact Mass508.16
IUPAC NameN-benzyl-N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylsulfonylamino)benzamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1cccc2cccnc12)N(Cc1ccccc1)Cc1cccnc1
InChIInChI=1S/C29H24N4O3S/c34-29(33(20-22-9-2-1-3-10-22)21-23-11-7-17-30-19-23)25-14-4-5-15-26(25)32-37(35,36)27-16-6-12-24-13-8-18-31-28(24)27/h1-19,32H,20-21H2
InChIKeyPPHSOCROFCONHN-UHFFFAOYSA-N
XLogP5.27
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.60
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid
CID 11525761
N-benzyl-N-ethyl-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924072
N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
CID 39948382
N-cyclohexyl-2-(quinolin-8-ylsulfonylamino)benzamide
CID 7573778
N-benzyl-2-methyl-N-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 171678671
5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid
CID 22398672
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
N-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide
CID 20796159
N-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide
CID 140579955
N-(2-phenylsulfanylphenyl)quinoline-8-sulfonamide
CID 3730212
ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid
CID 90727760
N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide
CID 3338850

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylsulfonylamino)benzamide?
The IUPAC name of N-benzyl-N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylsulfonylamino)benzamide (CID 12020675) is N-benzyl-N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylsulfonylamino)benzamide.
What is the SMILES notation for N-benzyl-N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylsulfonylamino)benzamide?
The canonical SMILES for N-benzyl-N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylsulfonylamino)benzamide is O=C(c1ccccc1NS(=O)(=O)c1cccc2cccnc12)N(Cc1ccccc1)Cc1cccnc1.
What is the InChIKey of N-benzyl-N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylsulfonylamino)benzamide?
The InChIKey is PPHSOCROFCONHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O3S/c34-29(33(20-22-9-2-1-3-10-22)21-23-11-7-17-30-19-23)25-14-4-5-15-26(25)32-37(35,36)27-16-6-12-24-13-8-18-31-28(24)27/h1-19,32H,20-21H2.
What are the key properties of N-benzyl-N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylsulfonylamino)benzamide?
N-benzyl-N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylsulfonylamino)benzamide has a molecular weight of 508.60 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylsulfonylamino)benzamide is sourced from PubChem (CID 12020675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).