N-(2,4-dimethylphenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide

C25H20F2N2O4S — CID 2137119

IUPACN-(2,4-dimethylphenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c(C)c1
InChIInChI=1S/C25H20F2N2O4S/c1-15-3-9-21(16(2)11-15)28-24(30)14-29-13-23(25(31)20-12-18(27)6-10-22(20)29)34(32,33)19-7-4-17(26)5-8-19/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyKFVWZAITOBHKRV-UHFFFAOYSA-N
MW482.51 g/mol
LogP4.37
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide

N-(2,4-dimethylphenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide (PubChem CID 2137119) has the molecular formula C25H20F2N2O4S and a molecular weight of 482.51 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
PubChem CID2137119
Molecular FormulaC25H20F2N2O4S
Molecular Weight482.51 g/mol
Exact Mass482.11
IUPAC NameN-(2,4-dimethylphenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c(C)c1
InChIInChI=1S/C25H20F2N2O4S/c1-15-3-9-21(16(2)11-15)28-24(30)14-29-13-23(25(31)20-12-18(27)6-10-22(20)29)34(32,33)19-7-4-17(26)5-8-19/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyKFVWZAITOBHKRV-UHFFFAOYSA-N
XLogP4.37
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethylphenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 20869342
2-[3-(4-fluorophenyl)sulfonyl-6-methyl-4-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2137122
2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2137124
N-(2-methoxyphenyl)-2-[6-methyl-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136352
N-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 20869314
N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide
CID 20869253
2-[3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16815540
6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2137247
6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874575
2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 20869218
2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 2136968
N-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136964

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide (CID 2137119) is N-(2,4-dimethylphenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide is Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
The InChIKey is KFVWZAITOBHKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O4S/c1-15-3-9-21(16(2)11-15)28-24(30)14-29-13-23(25(31)20-12-18(27)6-10-22(20)29)34(32,33)19-7-4-17(26)5-8-19/h3-13H,14H2,1-2H3,(H,28,30).
What are the key properties of N-(2,4-dimethylphenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide has a molecular weight of 482.51 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 2137119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).