N-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide

C18H16N2O3S — CID 154848531

IUPACN-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)Cc2ccc3ncccc3c2)c1
InChIInChI=1S/C18H16N2O3S/c1-24(22,23)16-6-2-5-15(12-16)20-18(21)11-13-7-8-17-14(10-13)4-3-9-19-17/h2-10,12H,11H2,1H3,(H,20,21)
InChIKeyIXVLILQWOCRGIG-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.82
Rot. Bonds4

About N-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide

N-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide (PubChem CID 154848531) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide
PubChem CID154848531
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)Cc2ccc3ncccc3c2)c1
InChIInChI=1S/C18H16N2O3S/c1-24(22,23)16-6-2-5-15(12-16)20-18(21)11-13-7-8-17-14(10-13)4-3-9-19-17/h2-10,12H,11H2,1H3,(H,20,21)
InChIKeyIXVLILQWOCRGIG-UHFFFAOYSA-N
XLogP2.82
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide
CID 27334833
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
ethane;6-methylsulfonylquinoline
CID 156875641
N-(3-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34236869
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
2-chloro-N-quinolin-6-ylacetamide
CID 3144388
N-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771361
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121
4-hydroxy-N-(3-methylsulfonylphenyl)butanamide
CID 79193203
N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 5077969
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide (CID 154848531) is N-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide is CS(=O)(=O)c1cccc(NC(=O)Cc2ccc3ncccc3c2)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide?
The InChIKey is IXVLILQWOCRGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-24(22,23)16-6-2-5-15(12-16)20-18(21)11-13-7-8-17-14(10-13)4-3-9-19-17/h2-10,12H,11H2,1H3,(H,20,21).
What are the key properties of N-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide?
N-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide has a molecular weight of 340.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide is sourced from PubChem (CID 154848531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).