3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide

C20H20N2O3S — CID 70709829

IUPAC3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide
SMILESCN(Cc1cccc2ncccc12)C(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H20N2O3S/c1-22(15-16-7-5-11-19-18(16)10-6-13-21-19)20(23)12-14-26(24,25)17-8-3-2-4-9-17/h2-11,13H,12,14-15H2,1H3
InChIKeyZWGBYDQFHOIWGJ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.06
Rot. Bonds6

About 3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide

3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide (PubChem CID 70709829) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide
PubChem CID70709829
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide
SMILESCN(Cc1cccc2ncccc12)C(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H20N2O3S/c1-22(15-16-7-5-11-19-18(16)10-6-13-21-19)20(23)12-14-26(24,25)17-8-3-2-4-9-17/h2-11,13H,12,14-15H2,1H3
InChIKeyZWGBYDQFHOIWGJ-UHFFFAOYSA-N
XLogP3.06
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide
CID 70751619
2-(2-methoxyphenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 70744785
propan-2-yl N-methyl-N-(quinolin-5-ylmethyl)carbamate
CID 135388422
3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide
CID 26349743
3-(2-benzyl-5-oxopyrrolidin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide
CID 45244552
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 56905403
3-(benzenesulfonyl)-N-butyl-N-methylpropanamide
CID 110294976
N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide
CID 110409524
N-methyl-2-oxo-6-phenyl-N-(quinolin-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 56908393
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate
CID 55562613
N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide
CID 60515386
3-[2-[3-[methyl(quinolin-4-ylmethyl)amino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
CID 91765299

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide (CID 70709829) is 3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide is CN(Cc1cccc2ncccc12)C(=O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide?
The InChIKey is ZWGBYDQFHOIWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-22(15-16-7-5-11-19-18(16)10-6-13-21-19)20(23)12-14-26(24,25)17-8-3-2-4-9-17/h2-11,13H,12,14-15H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide?
3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide has a molecular weight of 368.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide is sourced from PubChem (CID 70709829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).