N-(3-bromophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide

C23H21BrN2O4S — CID 126394713

IUPACN-(3-bromophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C23H21BrN2O4S/c24-18-7-3-8-19(15-18)25-23(27)16-30-20-10-12-21(13-11-20)31(28,29)26-14-4-6-17-5-1-2-9-22(17)26/h1-3,5,7-13,15H,4,6,14,16H2,(H,25,27)
InChIKeyJVGJGTUTKJWMOU-UHFFFAOYSA-N
MW501.40 g/mol
LogP4.61
Rot. Bonds6

About N-(3-bromophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide

N-(3-bromophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide (PubChem CID 126394713) has the molecular formula C23H21BrN2O4S and a molecular weight of 501.40 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
PubChem CID126394713
Molecular FormulaC23H21BrN2O4S
Molecular Weight501.40 g/mol
Exact Mass500.04
IUPAC NameN-(3-bromophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C23H21BrN2O4S/c24-18-7-3-8-19(15-18)25-23(27)16-30-20-10-12-21(13-11-20)31(28,29)26-14-4-6-17-5-1-2-9-22(17)26/h1-3,5,7-13,15H,4,6,14,16H2,(H,25,27)
InChIKeyJVGJGTUTKJWMOU-UHFFFAOYSA-N
XLogP4.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(3,5-dimethylphenyl)acetamide
CID 126397249
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
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-phenylacetamide
CID 4305979
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 18565098
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126396736
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 18565135
2-(4-tert-butylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 1013636
2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 1013039
2-(4-methoxyphenoxy)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 18565018
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide
CID 3953512
2-(2,4-dichlorophenoxy)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide
CID 17321201

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide (CID 126394713) is N-(3-bromophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide is O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide?
The InChIKey is JVGJGTUTKJWMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O4S/c24-18-7-3-8-19(15-18)25-23(27)16-30-20-10-12-21(13-11-20)31(28,29)26-14-4-6-17-5-1-2-9-22(17)26/h1-3,5,7-13,15H,4,6,14,16H2,(H,25,27).
What are the key properties of N-(3-bromophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide?
N-(3-bromophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide has a molecular weight of 501.40 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide is sourced from PubChem (CID 126394713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).