N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide

C26H28N4O4S — CID 20865797

IUPACN-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C26H28N4O4S/c1-30(16-14-21-9-5-6-15-27-21)26(32)24(17-19-7-3-2-4-8-19)29-35(33,34)22-11-12-23-20(18-22)10-13-25(31)28-23/h2-9,11-12,15,18,24,29H,10,13-14,16-17H2,1H3,(H,28,31)
InChIKeyRJCQQWZVJUJUCN-UHFFFAOYSA-N
MW492.60 g/mol
LogP2.56
Rot. Bonds9

About N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide

N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 20865797) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID20865797
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC NameN-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C26H28N4O4S/c1-30(16-14-21-9-5-6-15-27-21)26(32)24(17-19-7-3-2-4-8-19)29-35(33,34)22-11-12-23-20(18-22)10-13-25(31)28-23/h2-9,11-12,15,18,24,29H,10,13-14,16-17H2,1H3,(H,28,31)
InChIKeyRJCQQWZVJUJUCN-UHFFFAOYSA-N
XLogP2.56
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide
CID 20865784
N-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865835
(2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 92665630
N-[[4-(dimethylamino)phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865834
N-[2-(3-methylphenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865828
N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46557664
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865785
N-[1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 20865758
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid
CID 16762964
N-cyclohexyl-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 6619842
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865831
N-[4-(4-chlorophenyl)-2-oxo-1-phenylbutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 146798513

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide (CID 20865797) is N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide is CN(CCc1ccccn1)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is RJCQQWZVJUJUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-30(16-14-21-9-5-6-15-27-21)26(32)24(17-19-7-3-2-4-8-19)29-35(33,34)22-11-12-23-20(18-22)10-13-25(31)28-23/h2-9,11-12,15,18,24,29H,10,13-14,16-17H2,1H3,(H,28,31).
What are the key properties of N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide?
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 492.60 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 20865797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).