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

C24H22BrN3O4S — CID 20864405

IUPACN-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
SMILESCc1cc(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)ccc1Br
InChIInChI=1S/C24H22BrN3O4S/c1-15-13-18(8-10-20(15)25)26-24(30)23(16-5-3-2-4-6-16)28-33(31,32)19-9-11-21-17(14-19)7-12-22(29)27-21/h2-6,8-11,13-14,23,28H,7,12H2,1H3,(H,26,30)(H,27,29)
InChIKeyICGZCFUEKPKDAF-UHFFFAOYSA-N
MW528.43 g/mol
LogP4.30
Rot. Bonds6

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

N-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide (PubChem CID 20864405) has the molecular formula C24H22BrN3O4S and a molecular weight of 528.43 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
PubChem CID20864405
Molecular FormulaC24H22BrN3O4S
Molecular Weight528.43 g/mol
Exact Mass527.05
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
SMILESCc1cc(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)ccc1Br
InChIInChI=1S/C24H22BrN3O4S/c1-15-13-18(8-10-20(15)25)26-24(30)23(16-5-3-2-4-6-16)28-33(31,32)19-9-11-21-17(14-19)7-12-22(29)27-21/h2-6,8-11,13-14,23,28H,7,12H2,1H3,(H,26,30)(H,27,29)
InChIKeyICGZCFUEKPKDAF-UHFFFAOYSA-N
XLogP4.30
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.43
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide with MolForge

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Related Compounds

N-(3-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864411
N-(3-chloro-2-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864432
N-cyclohexyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864416
(2S)-N-(3,3-diethoxypropyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 92665559
N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864439
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
(2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 92665630
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-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid
CID 56643198
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 159368180

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide (CID 20864405) is N-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide is Cc1cc(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide?
The InChIKey is ICGZCFUEKPKDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O4S/c1-15-13-18(8-10-20(15)25)26-24(30)23(16-5-3-2-4-6-16)28-33(31,32)19-9-11-21-17(14-19)7-12-22(29)27-21/h2-6,8-11,13-14,23,28H,7,12H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide?
N-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide has a molecular weight of 528.43 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide is sourced from PubChem (CID 20864405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).