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

C25H21FN2O6S — CID 2136959

IUPACN-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3ccccc32)cc1OC
InChIInChI=1S/C25H21FN2O6S/c1-33-21-12-9-17(13-22(21)34-2)27-24(29)15-28-14-23(25(30)19-5-3-4-6-20(19)28)35(31,32)18-10-7-16(26)8-11-18/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyRAPJPCWRQIEBTP-UHFFFAOYSA-N
MW496.52 g/mol
LogP3.63
Rot. Bonds7

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

N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide (PubChem CID 2136959) has the molecular formula C25H21FN2O6S and a molecular weight of 496.52 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
PubChem CID2136959
Molecular FormulaC25H21FN2O6S
Molecular Weight496.52 g/mol
Exact Mass496.11
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3ccccc32)cc1OC
InChIInChI=1S/C25H21FN2O6S/c1-33-21-12-9-17(13-22(21)34-2)27-24(29)15-28-14-23(25(30)19-5-3-4-6-20(19)28)35(31,32)18-10-7-16(26)8-11-18/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyRAPJPCWRQIEBTP-UHFFFAOYSA-N
XLogP3.63
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136964
2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2137124
N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide
CID 20869253
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20869323
2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 2136968
2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 20869218
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-[3-(4-fluorophenyl)sulfonyl-6-methyl-4-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2137122
N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936113
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 2141324
2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2136643

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide (CID 2136959) is N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide is COc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3ccccc32)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
The InChIKey is RAPJPCWRQIEBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O6S/c1-33-21-12-9-17(13-22(21)34-2)27-24(29)15-28-14-23(25(30)19-5-3-4-6-20(19)28)35(31,32)18-10-7-16(26)8-11-18/h3-14H,15H2,1-2H3,(H,27,29).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide has a molecular weight of 496.52 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 2136959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).