N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide

C20H18F2N2OS — CID 8701267

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C20H18F2N2OS/c1-12-16-5-3-4-6-18(16)23-13(2)17(12)11-19(25)24-14-7-9-15(10-8-14)26-20(21)22/h3-10,20H,11H2,1-2H3,(H,24,25)
InChIKeyWLAYCMNNSAPZCL-UHFFFAOYSA-N
MW372.44 g/mol
LogP5.35
Rot. Bonds5

About N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide (PubChem CID 8701267) has the molecular formula C20H18F2N2OS and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
PubChem CID8701267
Molecular FormulaC20H18F2N2OS
Molecular Weight372.44 g/mol
Exact Mass372.11
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C20H18F2N2OS/c1-12-16-5-3-4-6-18(16)23-13(2)17(12)11-19(25)24-14-7-9-15(10-8-14)26-20(21)22/h3-10,20H,11H2,1-2H3,(H,24,25)
InChIKeyWLAYCMNNSAPZCL-UHFFFAOYSA-N
XLogP5.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylquinolin-3-yl)-N-(4-iodophenyl)acetamide
CID 8886793
2-(2,4-dimethylquinolin-3-yl)-N-pyridin-3-ylacetamide
CID 32789123
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 26364618
2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide
CID 18146501
2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide
CID 8839348
2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30182174
2-(2,4-dimethylquinolin-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 32624129
N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55532542
N-(2-bromophenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 31289097
2-(2,4-dimethylquinolin-3-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 25337090
2-(2,4-dimethylquinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 27256543
N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 52698958

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide (CID 8701267) is N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide is Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The InChIKey is WLAYCMNNSAPZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2OS/c1-12-16-5-3-4-6-18(16)23-13(2)17(12)11-19(25)24-14-7-9-15(10-8-14)26-20(21)22/h3-10,20H,11H2,1-2H3,(H,24,25).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide has a molecular weight of 372.44 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide is sourced from PubChem (CID 8701267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).