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

C26H23FN2O5S — CID 2137118

IUPACN-(2,4-dimethylphenyl)-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(C)cc1C
InChIInChI=1S/C26H23FN2O5S/c1-16-4-10-22(17(2)12-16)28-25(30)15-29-14-24(35(32,33)20-8-5-18(27)6-9-20)26(31)21-13-19(34-3)7-11-23(21)29/h4-14H,15H2,1-3H3,(H,28,30)
InChIKeyVPQRBSTVZWBGID-UHFFFAOYSA-N
MW494.54 g/mol
LogP4.24
Rot. Bonds6

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

N-(2,4-dimethylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide (PubChem CID 2137118) has the molecular formula C26H23FN2O5S and a molecular weight of 494.54 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide
PubChem CID2137118
Molecular FormulaC26H23FN2O5S
Molecular Weight494.54 g/mol
Exact Mass494.13
IUPAC NameN-(2,4-dimethylphenyl)-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(C)cc1C
InChIInChI=1S/C26H23FN2O5S/c1-16-4-10-22(17(2)12-16)28-25(30)15-29-14-24(35(32,33)20-8-5-18(27)6-9-20)26(31)21-13-19(34-3)7-11-23(21)29/h4-14H,15H2,1-3H3,(H,28,30)
InChIKeyVPQRBSTVZWBGID-UHFFFAOYSA-N
XLogP4.24
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-Chlorophenyl)methyl]-3-(4-fluorophenyl)sulfonyl-6-methoxyquinolin-4-one
CID 2137249
3-[(4-fluorophenyl)sulfonyl]-6-methoxyquinolin-4(1H)-one
CID 9551540
2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 2136339
2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxo-1,4-dihydroquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2135407
N-(4-fluorophenyl)-2-[6-methoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 2136208
N-(4-ethylphenyl)-4-fluoro-3-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}benzamide
CID 4229425
2-(3-(4-ethylbenzoyl)-6-methoxy-4-oxoquinolin-1(4H)-yl)-N-(4-fluorophenyl)acetamide
CID 16009271
6-ethoxy-1-ethyl-3-tosylquinolin-4(1H)-one
CID 18559305
N-[2,6-difluoro-4-(3-fluorophenyl)phenyl]-6-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxamide
CID 90644862
N-(3-chloro-4-methylphenyl)-2-(6-methoxy-4-oxo-3-(phenylsulfonyl)quinolin-1(4H)-yl)acetamide
CID 16009418
N-[[1-[2-(diethylamino)ethylamino]-7-methoxy-9-oxothioxanthen-4-yl]methyl]methanesulfonamide
CID 10576072
2-[7-(4-fluorophenyl)sulfonyl-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]-N-phenylacetamide
CID 16009329

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide (CID 2137118) is N-(2,4-dimethylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-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(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide?
The InChIKey is VPQRBSTVZWBGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O5S/c1-16-4-10-22(17(2)12-16)28-25(30)15-29-14-24(35(32,33)20-8-5-18(27)6-9-20)26(31)21-13-19(34-3)7-11-23(21)29/h4-14H,15H2,1-3H3,(H,28,30).
What are the key properties of N-(2,4-dimethylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide has a molecular weight of 494.54 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 2137118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).