3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide

C20H20N2O4S — CID 110616746

IUPAC3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C20H20N2O4S/c23-19(11-13-27(25,26)17-7-2-1-3-8-17)21-12-10-16-14-15-6-4-5-9-18(15)22-20(16)24/h1-9,14H,10-13H2,(H,21,23)(H,22,24)
InChIKeyQHOADSKQFBCGFF-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.05
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide

3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide (PubChem CID 110616746) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide
PubChem CID110616746
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C20H20N2O4S/c23-19(11-13-27(25,26)17-7-2-1-3-8-17)21-12-10-16-14-15-6-4-5-9-18(15)22-20(16)24/h1-9,14H,10-13H2,(H,21,23)(H,22,24)
InChIKeyQHOADSKQFBCGFF-UHFFFAOYSA-N
XLogP2.05
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide
CID 110330993
4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide
CID 110415150
4-(4-chlorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide
CID 110413628
5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide
CID 110413637
N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110330998
2-(3-methylphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110662740
3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110414837
N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide
CID 110325649
N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide
CID 110325696
N-(2-morpholin-4-ylethyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 53174593
3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 32816816
3-(4-chlorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 2108565

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide (CID 110616746) is 3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
The InChIKey is QHOADSKQFBCGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c23-19(11-13-27(25,26)17-7-2-1-3-8-17)21-12-10-16-14-15-6-4-5-9-18(15)22-20(16)24/h1-9,14H,10-13H2,(H,21,23)(H,22,24).
What are the key properties of 3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide has a molecular weight of 384.46 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide is sourced from PubChem (CID 110616746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).