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

C24H18F2N2O5S — CID 20869253

IUPACN-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide
SMILESCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H18F2N2O5S/c1-33-18-8-11-21-20(12-18)24(30)22(34(31,32)19-9-4-16(26)5-10-19)13-28(21)14-23(29)27-17-6-2-15(25)3-7-17/h2-13H,14H2,1H3,(H,27,29)
InChIKeyUFZIOEPYFRUVCM-UHFFFAOYSA-N
MW484.48 g/mol
LogP3.76
Rot. Bonds6

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

N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide (PubChem CID 20869253) has the molecular formula C24H18F2N2O5S and a molecular weight of 484.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide
PubChem CID20869253
Molecular FormulaC24H18F2N2O5S
Molecular Weight484.48 g/mol
Exact Mass484.09
IUPAC NameN-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide
SMILESCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H18F2N2O5S/c1-33-18-8-11-21-20(12-18)24(30)22(34(31,32)19-9-4-16(26)5-10-19)13-28(21)14-23(29)27-17-6-2-15(25)3-7-17/h2-13H,14H2,1H3,(H,27,29)
InChIKeyUFZIOEPYFRUVCM-UHFFFAOYSA-N
XLogP3.76
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2136953
2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137967
2-[3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16815540
2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20869328
N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136959
2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137964
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 20869284
2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2137124
2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16825265
2-[3-(4-fluorophenyl)sulfonyl-6-methyl-4-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2137122

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide (CID 20869253) is N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide is COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide?
The InChIKey is UFZIOEPYFRUVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O5S/c1-33-18-8-11-21-20(12-18)24(30)22(34(31,32)19-9-4-16(26)5-10-19)13-28(21)14-23(29)27-17-6-2-15(25)3-7-17/h2-13H,14H2,1H3,(H,27,29).
What are the key properties of N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide has a molecular weight of 484.48 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 20869253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).