N-(4-methoxyphenyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide

C19H19N3O4S — CID 5307127

IUPACN-(4-methoxyphenyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C19H19N3O4S/c1-22(13-18(23)21-15-8-10-16(26-2)11-9-15)27(24,25)17-7-3-5-14-6-4-12-20-19(14)17/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyLJWAWDPPQNTUBG-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.50
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide

N-(4-methoxyphenyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide (PubChem CID 5307127) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
PubChem CID5307127
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(4-methoxyphenyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C19H19N3O4S/c1-22(13-18(23)21-15-8-10-16(26-2)11-9-15)27(24,25)17-7-3-5-14-6-4-12-20-19(14)17/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyLJWAWDPPQNTUBG-UHFFFAOYSA-N
XLogP2.50
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-(quinolin-3-yl)benzenesulfonamide
CID 2931238
N-hydroxy-2-[[4-methoxybenzenesulfonyl](2-quinolinylmethyl)amino]acetamide
CID 22907131
N-[4-(pentyloxy)phenyl]-2-(quinolin-8-ylsulfanyl)acetamide
CID 1964370
N-(4-hydroxyphenyl)-8-quinolinesulfonamide
CID 894115
2-Amino-N-(6-methoxy-quinolin-8-yl)-4-methyl-benzenesulfonamide
CID 16759911
2-Methoxy-5-methyl-N-(quinolin-3-yl)benzenesulfonamide
CID 24178213
US10370333, Example II-2
CID 89768386
5-cyano-2-methoxy-N-quinolin-3-ylbenzenesulfonamide
CID 89768682
2-[(4-Ethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-N-pyridin-3-yl-acetamide
CID 1085939
Quinoline-8-sulfonic acid (2-oxo-benzo[1,3]oxathiol-5-yl)-amide
CID 1094888
Quinoline-8-sulfonic acid acetyl-(2-oxo-benzo[1,3]oxathiol-5-yl)-amide
CID 1094889
2-Fluoro-N-(6-methoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 1164937

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide (CID 5307127) is N-(4-methoxyphenyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide is COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
The InChIKey is LJWAWDPPQNTUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-22(13-18(23)21-15-8-10-16(26-2)11-9-15)27(24,25)17-7-3-5-14-6-4-12-20-19(14)17/h3-12H,13H2,1-2H3,(H,21,23).
What are the key properties of N-(4-methoxyphenyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
N-(4-methoxyphenyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide has a molecular weight of 385.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 5307127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).