N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide

C25H25N3O5S — CID 20864439

IUPACN-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
SMILESCOc1ccccc1CNC(=O)C(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1
InChIInChI=1S/C25H25N3O5S/c1-33-22-10-6-5-9-19(22)16-26-25(30)24(17-7-3-2-4-8-17)28-34(31,32)20-12-13-21-18(15-20)11-14-23(29)27-21/h2-10,12-13,15,24,28H,11,14,16H2,1H3,(H,26,30)(H,27,29)
InChIKeyPYBPYHPPGNOFJH-UHFFFAOYSA-N
MW479.56 g/mol
LogP2.92
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide

N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide (PubChem CID 20864439) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
PubChem CID20864439
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
SMILESCOc1ccccc1CNC(=O)C(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1
InChIInChI=1S/C25H25N3O5S/c1-33-22-10-6-5-9-19(22)16-26-25(30)24(17-7-3-2-4-8-17)28-34(31,32)20-12-13-21-18(15-20)11-14-23(29)27-21/h2-10,12-13,15,24,28H,11,14,16H2,1H3,(H,26,30)(H,27,29)
InChIKeyPYBPYHPPGNOFJH-UHFFFAOYSA-N
XLogP2.92
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3,3-diethoxypropyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 92665559
N-cyclohexyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864416
N-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864405
N-(3-chloro-2-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864432
N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 112992769
N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46557664
N-[4-(4-chlorophenyl)-2-oxo-1-phenylbutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 146798513
N-cyclohexyl-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 6619842
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 20864430
N-[[4-(dimethylamino)phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865834
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide
CID 20865784
N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide (CID 20864439) is N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide is COc1ccccc1CNC(=O)C(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide?
The InChIKey is PYBPYHPPGNOFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-33-22-10-6-5-9-19(22)16-26-25(30)24(17-7-3-2-4-8-17)28-34(31,32)20-12-13-21-18(15-20)11-14-23(29)27-21/h2-10,12-13,15,24,28H,11,14,16H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide?
N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide has a molecular weight of 479.56 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide is sourced from PubChem (CID 20864439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).