N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide

C19H21N3O5S — CID 55676569

IUPACN-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide
SMILESCCNC(=O)COc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C19H21N3O5S/c1-2-20-19(24)12-27-15-5-3-4-14(11-15)22-28(25,26)16-7-8-17-13(10-16)6-9-18(23)21-17/h3-5,7-8,10-11,22H,2,6,9,12H2,1H3,(H,20,24)(H,21,23)
InChIKeyPRGGVZFKIHMASP-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.89
Rot. Bonds7

About N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide

N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide (PubChem CID 55676569) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide
PubChem CID55676569
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide
SMILESCCNC(=O)COc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C19H21N3O5S/c1-2-20-19(24)12-27-15-5-3-4-14(11-15)22-28(25,26)16-7-8-17-13(10-16)6-9-18(23)21-17/h3-5,7-8,10-11,22H,2,6,9,12H2,1H3,(H,20,24)(H,21,23)
InChIKeyPRGGVZFKIHMASP-UHFFFAOYSA-N
XLogP1.89
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide
CID 39871916
N,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 7586489
2-oxo-N-(3-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8519442
N-ethyl-2-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetamide
CID 39871766
N-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 18147069
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 7586418
2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide
CID 71912046
N-ethyl-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 2223893
2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide
CID 8515699
N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide
CID 18230196
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 55499851

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide?
The IUPAC name of N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide (CID 55676569) is N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide is CCNC(=O)COc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1.
What is the InChIKey of N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide?
The InChIKey is PRGGVZFKIHMASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-2-20-19(24)12-27-15-5-3-4-14(11-15)22-28(25,26)16-7-8-17-13(10-16)6-9-18(23)21-17/h3-5,7-8,10-11,22H,2,6,9,12H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide?
N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide has a molecular weight of 403.46 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 55676569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).