N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide

C23H21FN2O4S — CID 18565135

IUPACN-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2
InChIInChI=1S/C23H21FN2O4S/c24-18-9-12-21(13-10-18)31(28,29)26-14-4-5-17-8-11-19(15-22(17)26)25-23(27)16-30-20-6-2-1-3-7-20/h1-3,6-13,15H,4-5,14,16H2,(H,25,27)
InChIKeyXTKDXTKZHGAHNV-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.98
Rot. Bonds6

About N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide

N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide (PubChem CID 18565135) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
PubChem CID18565135
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC NameN-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2
InChIInChI=1S/C23H21FN2O4S/c24-18-9-12-21(13-10-18)31(28,29)26-14-4-5-17-8-11-19(15-22(17)26)25-23(27)16-30-20-6-2-1-3-7-20/h1-3,6-13,15H,4-5,14,16H2,(H,25,27)
InChIKeyXTKDXTKZHGAHNV-UHFFFAOYSA-N
XLogP3.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 18565098
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
CID 18565145
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide
CID 16835405
N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
CID 126396063
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(4-iodophenyl)acetamide
CID 126392373
N-(3-bromophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
CID 126394713
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(3,5-dimethylphenyl)acetamide
CID 126397249
2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7657751
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenoxyacetamide
CID 7527152
N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-fluorophenoxy)acetamide
CID 16930802
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-phenylacetamide
CID 4305979
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1H-pyrrole-2-carboxamide
CID 90088376

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide?
The IUPAC name of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide (CID 18565135) is N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2.
What is the InChIKey of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide?
The InChIKey is XTKDXTKZHGAHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c24-18-9-12-21(13-10-18)31(28,29)26-14-4-5-17-8-11-19(15-22(17)26)25-23(27)16-30-20-6-2-1-3-7-20/h1-3,6-13,15H,4-5,14,16H2,(H,25,27).
What are the key properties of N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide?
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide has a molecular weight of 440.50 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide is sourced from PubChem (CID 18565135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).