2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide

C22H27N3O5S — CID 24652368

IUPAC2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)COc2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C22H27N3O5S/c1-15(2)25-31(28,29)14-17-5-3-16(4-6-17)12-23-22(27)13-30-19-8-9-20-18(11-19)7-10-21(26)24-20/h3-6,8-9,11,15,25H,7,10,12-14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyATODAOKCNSYQPZ-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.09
Rot. Bonds9

About 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide

2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide (PubChem CID 24652368) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
PubChem CID24652368
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)COc2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C22H27N3O5S/c1-15(2)25-31(28,29)14-17-5-3-16(4-6-17)12-23-22(27)13-30-19-8-9-20-18(11-19)7-10-21(26)24-20/h3-6,8-9,11,15,25H,7,10,12-14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyATODAOKCNSYQPZ-UHFFFAOYSA-N
XLogP2.09
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide with MolForge

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 134050875
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 24633590
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-pentan-2-ylacetamide
CID 42939058
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
N-(2-cyclopentylethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 39997989
N-benzyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide
CID 24676625
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55877817
N-[4-(4-fluorophenoxy)butyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33109872
2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]-N-propan-2-ylbenzamide
CID 55672954
methyl N-[4-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]phenyl]carbamate
CID 55963525
N-[1-(4-bromophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55528214

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide (CID 24652368) is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide is CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)COc2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The InChIKey is ATODAOKCNSYQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-15(2)25-31(28,29)14-17-5-3-16(4-6-17)12-23-22(27)13-30-19-8-9-20-18(11-19)7-10-21(26)24-20/h3-6,8-9,11,15,25H,7,10,12-14H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide has a molecular weight of 445.54 g/mol, XLogP of 2.09, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 24652368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).