N-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide

C23H20N6O4S — CID 108784040

IUPACN-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide
SMILESCOc1cccc2c(C)cc(-n3ncc(C#N)c3NS(=O)(=O)c3ccc(NC(C)=O)cc3)nc12
InChIInChI=1S/C23H20N6O4S/c1-14-11-21(27-22-19(14)5-4-6-20(22)33-3)29-23(16(12-24)13-25-29)28-34(31,32)18-9-7-17(8-10-18)26-15(2)30/h4-11,13,28H,1-3H3,(H,26,30)
InChIKeySWJLEPPCUJLPSK-UHFFFAOYSA-N
MW476.52 g/mol
LogP3.37
Rot. Bonds6

About N-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide

N-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide (PubChem CID 108784040) has the molecular formula C23H20N6O4S and a molecular weight of 476.52 g/mol. Its IUPAC name is N-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide
PubChem CID108784040
Molecular FormulaC23H20N6O4S
Molecular Weight476.52 g/mol
Exact Mass476.13
IUPAC NameN-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide
SMILESCOc1cccc2c(C)cc(-n3ncc(C#N)c3NS(=O)(=O)c3ccc(NC(C)=O)cc3)nc12
InChIInChI=1S/C23H20N6O4S/c1-14-11-21(27-22-19(14)5-4-6-20(22)33-3)29-23(16(12-24)13-25-29)28-34(31,32)18-9-7-17(8-10-18)26-15(2)30/h4-11,13,28H,1-3H3,(H,26,30)
InChIKeySWJLEPPCUJLPSK-UHFFFAOYSA-N
XLogP3.37
TPSA139.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

4-chloro-N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-nitrobenzenesulfonamide
CID 108784044
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide
CID 108784025
2-chloroethyl N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]carbamate
CID 108747474
ethyl 5-[(4-fluorophenyl)sulfonylamino]-1-(8-methoxy-4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108783937
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108747495
2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108747345
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-2-methyl-3,5-dinitrobenzamide
CID 108747463
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108747482
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108769565
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 108747519
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2,4-dimethylbenzenesulfonamide
CID 108784022
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797999

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide (CID 108784040) is N-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide is COc1cccc2c(C)cc(-n3ncc(C#N)c3NS(=O)(=O)c3ccc(NC(C)=O)cc3)nc12.
What is the InChIKey of N-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is SWJLEPPCUJLPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O4S/c1-14-11-21(27-22-19(14)5-4-6-20(22)33-3)29-23(16(12-24)13-25-29)28-34(31,32)18-9-7-17(8-10-18)26-15(2)30/h4-11,13,28H,1-3H3,(H,26,30).
What are the key properties of N-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 476.52 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 108784040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).