2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-(5-fluoro-2-methylphenyl)acetamide

C25H25FN2O4S — CID 28555378

IUPAC2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C
InChIInChI=1S/C25H25FN2O4S/c1-17-9-10-20(26)15-22(17)27-25(29)16-32-24-12-11-21(14-18(24)2)33(30,31)28-13-5-7-19-6-3-4-8-23(19)28/h3-4,6,8-12,14-15H,5,7,13,16H2,1-2H3,(H,27,29)
InChIKeyPROCSXJMRAHCBS-UHFFFAOYSA-N
MW468.55 g/mol
LogP4.60
Rot. Bonds6

About 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-(5-fluoro-2-methylphenyl)acetamide

2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 28555378) has the molecular formula C25H25FN2O4S and a molecular weight of 468.55 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID28555378
Molecular FormulaC25H25FN2O4S
Molecular Weight468.55 g/mol
Exact Mass468.15
IUPAC Name2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C
InChIInChI=1S/C25H25FN2O4S/c1-17-9-10-20(26)15-22(17)27-25(29)16-32-24-12-11-21(14-18(24)2)33(30,31)28-13-5-7-19-6-3-4-8-23(19)28/h3-4,6,8-12,14-15H,5,7,13,16H2,1-2H3,(H,27,29)
InChIKeyPROCSXJMRAHCBS-UHFFFAOYSA-N
XLogP4.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]acetamide
CID 28555324
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873588
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126396736
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28555231
2-(4-bromo-2-methylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 3482740
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(3,5-dimethylphenyl)acetamide
CID 126397249
2-(2,4-dichlorophenoxy)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide
CID 17321201
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide
CID 16835405
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28555236
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43873573
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide
CID 28555210
N-(2-chlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126395278

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-(5-fluoro-2-methylphenyl)acetamide (CID 28555378) is 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-(5-fluoro-2-methylphenyl)acetamide is Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C.
What is the InChIKey of 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is PROCSXJMRAHCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O4S/c1-17-9-10-20(26)15-22(17)27-25(29)16-32-24-12-11-21(14-18(24)2)33(30,31)28-13-5-7-19-6-3-4-8-23(19)28/h3-4,6,8-12,14-15H,5,7,13,16H2,1-2H3,(H,27,29).
What are the key properties of 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-(5-fluoro-2-methylphenyl)acetamide?
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 468.55 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 28555378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).