2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide

C19H18FN3O3S — CID 113151061

IUPAC2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc2cccnc12)Cc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3S/c1-27(25,26)23(12-14-7-9-16(20)10-8-14)13-18(24)22-17-6-2-4-15-5-3-11-21-19(15)17/h2-11H,12-13H2,1H3,(H,22,24)
InChIKeyPEZGTFSSAANZRB-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.77
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide

2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide (PubChem CID 113151061) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide
PubChem CID113151061
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc2cccnc12)Cc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3S/c1-27(25,26)23(12-14-7-9-16(20)10-8-14)13-18(24)22-17-6-2-4-15-5-3-11-21-19(15)17/h2-11H,12-13H2,1H3,(H,22,24)
InChIKeyPEZGTFSSAANZRB-UHFFFAOYSA-N
XLogP2.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide
CID 113151329
N-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
CID 28548467
2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
CID 113153811
3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide
CID 109025202
2-(4-fluorophenoxy)-N-quinolin-8-ylacetamide
CID 17443973
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
CID 113154095
2-(3-fluorophenyl)-N-quinolin-8-ylacetamide
CID 17466971
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
CID 126062395
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
CID 113151047
N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide
CID 108956736
N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide
CID 108946174

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide (CID 113151061) is 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide is CS(=O)(=O)N(CC(=O)Nc1cccc2cccnc12)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide?
The InChIKey is PEZGTFSSAANZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-27(25,26)23(12-14-7-9-16(20)10-8-14)13-18(24)22-17-6-2-4-15-5-3-11-21-19(15)17/h2-11H,12-13H2,1H3,(H,22,24).
What are the key properties of 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide?
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide has a molecular weight of 387.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide is sourced from PubChem (CID 113151061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).