2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide

C20H20N2O3S — CID 18144324

IUPAC2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C20H20N2O3S/c1-14-8-9-17(26(2,24)25)13-18(14)20(23)22-12-10-16-6-3-5-15-7-4-11-21-19(15)16/h3-9,11,13H,10,12H2,1-2H3,(H,22,23)
InChIKeyRYNKLAQOYQFJGF-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.92
Rot. Bonds5

About 2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide

2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide (PubChem CID 18144324) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide
PubChem CID18144324
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C20H20N2O3S/c1-14-8-9-17(26(2,24)25)13-18(14)20(23)22-12-10-16-6-3-5-15-7-4-11-21-19(15)16/h3-9,11,13H,10,12H2,1-2H3,(H,22,23)
InChIKeyRYNKLAQOYQFJGF-UHFFFAOYSA-N
XLogP2.92
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(2-methylpropanoylamino)ethyl]-5-methylsulfonylbenzamide
CID 78779008
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide
CID 39316228
5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide
CID 78836646
4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 86919898
2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721134
N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26880459
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
2-fluoro-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide
CID 18149345
2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide
CID 18285449

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide (CID 18144324) is 2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCc1cccc2cccnc12.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide?
The InChIKey is RYNKLAQOYQFJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-14-8-9-17(26(2,24)25)13-18(14)20(23)22-12-10-16-6-3-5-15-7-4-11-21-19(15)16/h3-9,11,13H,10,12H2,1-2H3,(H,22,23).
What are the key properties of 2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide?
2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide has a molecular weight of 368.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide is sourced from PubChem (CID 18144324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).