N-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

C17H14F2N2O5S — CID 71894484

IUPACN-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESO=C1CCc2cc(OCC(=O)NS(=O)(=O)c3cc(F)ccc3F)ccc2N1
InChIInChI=1S/C17H14F2N2O5S/c18-11-2-4-13(19)15(8-11)27(24,25)21-17(23)9-26-12-3-5-14-10(7-12)1-6-16(22)20-14/h2-5,7-8H,1,6,9H2,(H,20,22)(H,21,23)
InChIKeyTYESVPNXMWWYHR-UHFFFAOYSA-N
MW396.37 g/mol
LogP1.73
Rot. Bonds5

About N-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

N-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (PubChem CID 71894484) has the molecular formula C17H14F2N2O5S and a molecular weight of 396.37 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
PubChem CID71894484
Molecular FormulaC17H14F2N2O5S
Molecular Weight396.37 g/mol
Exact Mass396.06
IUPAC NameN-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESO=C1CCc2cc(OCC(=O)NS(=O)(=O)c3cc(F)ccc3F)ccc2N1
InChIInChI=1S/C17H14F2N2O5S/c18-11-2-4-13(19)15(8-11)27(24,25)21-17(23)9-26-12-3-5-14-10(7-12)1-6-16(22)20-14/h2-5,7-8H,1,6,9H2,(H,20,22)(H,21,23)
InChIKeyTYESVPNXMWWYHR-UHFFFAOYSA-N
XLogP1.73
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide with MolForge

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Related Compounds

N-[4-(4-fluorophenoxy)butyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33109872
N-cyclohexylsulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 154775488
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
methyl 3-(4-fluorophenyl)-3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]propanoate
CID 55995306
[4-(4-fluorobenzoyl)phenyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 39976920
methyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate
CID 47022018
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-pentan-2-ylacetamide
CID 42939058
N-(1-adamantyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 24650546
N-naphthalen-2-yl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 36507480
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2,4-difluorobenzenesulfonate
CID 18148741
2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide
CID 8515699
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (CID 71894484) is N-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is O=C1CCc2cc(OCC(=O)NS(=O)(=O)c3cc(F)ccc3F)ccc2N1.
What is the InChIKey of N-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The InChIKey is TYESVPNXMWWYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O5S/c18-11-2-4-13(19)15(8-11)27(24,25)21-17(23)9-26-12-3-5-14-10(7-12)1-6-16(22)20-14/h2-5,7-8H,1,6,9H2,(H,20,22)(H,21,23).
What are the key properties of N-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
N-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide has a molecular weight of 396.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is sourced from PubChem (CID 71894484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).