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

C25H25N3O5S — CID 126396063

IUPACN-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1
InChIInChI=1S/C25H25N3O5S/c1-18(29)26-20-8-10-21(11-9-20)27-25(30)17-33-22-12-14-23(15-13-22)34(31,32)28-16-4-6-19-5-2-3-7-24(19)28/h2-3,5,7-15H,4,6,16-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyODDZMJNRXZWJJZ-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.80
Rot. Bonds7

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

N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide (PubChem CID 126396063) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
PubChem CID126396063
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC NameN-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1
InChIInChI=1S/C25H25N3O5S/c1-18(29)26-20-8-10-21(11-9-20)27-25(30)17-33-22-12-14-23(15-13-22)34(31,32)28-16-4-6-19-5-2-3-7-24(19)28/h2-3,5,7-15H,4,6,16-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyODDZMJNRXZWJJZ-UHFFFAOYSA-N
XLogP3.80
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(4-iodophenyl)acetamide
CID 126392373
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(3,5-dimethylphenyl)acetamide
CID 126397249
2-(4-tert-butylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 1013636
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-phenylacetamide
CID 4305979
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-(2,4-dimethylphenyl)acetamide
CID 126396736
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 18565098
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
2-(2,4-dichlorophenoxy)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide
CID 17321201
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 18565135
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

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide (CID 126396063) is N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide is CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide?
The InChIKey is ODDZMJNRXZWJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-18(29)26-20-8-10-21(11-9-20)27-25(30)17-33-22-12-14-23(15-13-22)34(31,32)28-16-4-6-19-5-2-3-7-24(19)28/h2-3,5,7-15H,4,6,16-17H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide?
N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide has a molecular weight of 479.56 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide is sourced from PubChem (CID 126396063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).