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

C24H22ClN3O4S — CID 20864432

IUPACN-(3-chloro-2-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
SMILESCc1c(Cl)cccc1NC(=O)C(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1
InChIInChI=1S/C24H22ClN3O4S/c1-15-19(25)8-5-9-20(15)27-24(30)23(16-6-3-2-4-7-16)28-33(31,32)18-11-12-21-17(14-18)10-13-22(29)26-21/h2-9,11-12,14,23,28H,10,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyUYIDAQXVKIMMAQ-UHFFFAOYSA-N
MW483.98 g/mol
LogP4.19
Rot. Bonds6

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

N-(3-chloro-2-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide (PubChem CID 20864432) has the molecular formula C24H22ClN3O4S and a molecular weight of 483.98 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
PubChem CID20864432
Molecular FormulaC24H22ClN3O4S
Molecular Weight483.98 g/mol
Exact Mass483.10
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
SMILESCc1c(Cl)cccc1NC(=O)C(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1
InChIInChI=1S/C24H22ClN3O4S/c1-15-19(25)8-5-9-20(15)27-24(30)23(16-6-3-2-4-7-16)28-33(31,32)18-11-12-21-17(14-18)10-13-22(29)26-21/h2-9,11-12,14,23,28H,10,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyUYIDAQXVKIMMAQ-UHFFFAOYSA-N
XLogP4.19
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864405
N-cyclohexyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864416
N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864439
N-[4-(4-chlorophenyl)-2-oxo-1-phenylbutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 146798513
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-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8800124
N-cyclohexyl-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 6619842
N-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide
CID 22427317
N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46557664
(2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 92665630
N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39889362

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide (CID 20864432) is N-(3-chloro-2-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide is Cc1c(Cl)cccc1NC(=O)C(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide?
The InChIKey is UYIDAQXVKIMMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4S/c1-15-19(25)8-5-9-20(15)27-24(30)23(16-6-3-2-4-7-16)28-33(31,32)18-11-12-21-17(14-18)10-13-22(29)26-21/h2-9,11-12,14,23,28H,10,13H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide?
N-(3-chloro-2-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide has a molecular weight of 483.98 g/mol, XLogP of 4.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide is sourced from PubChem (CID 20864432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).