3-acetyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide

C20H20N2O4S — CID 110414998

IUPAC3-acetyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCc2cc3ccc(C)cc3[nH]c2=O)c1
InChIInChI=1S/C20H20N2O4S/c1-13-6-7-16-11-17(20(24)22-19(16)10-13)8-9-21-27(25,26)18-5-3-4-15(12-18)14(2)23/h3-7,10-12,21H,8-9H2,1-2H3,(H,22,24)
InChIKeyJFEMGAIGPZEMAQ-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.56
Rot. Bonds6

About 3-acetyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide

3-acetyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide (PubChem CID 110414998) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-acetyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
PubChem CID110414998
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name3-acetyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCc2cc3ccc(C)cc3[nH]c2=O)c1
InChIInChI=1S/C20H20N2O4S/c1-13-6-7-16-11-17(20(24)22-19(16)10-13)8-9-21-27(25,26)18-5-3-4-15(12-18)14(2)23/h3-7,10-12,21H,8-9H2,1-2H3,(H,22,24)
InChIKeyJFEMGAIGPZEMAQ-UHFFFAOYSA-N
XLogP2.56
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide
CID 110325883
3-acetyl-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 48629818
4-bromo-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 4068078
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324619
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 110326434
1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide
CID 110325870
3-acetyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666629
4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324590
3-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 110787294
2-(2-methoxyethoxy)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide
CID 110609079
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide (CID 110414998) is 3-acetyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCCc2cc3ccc(C)cc3[nH]c2=O)c1.
What is the InChIKey of 3-acetyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
The InChIKey is JFEMGAIGPZEMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-13-6-7-16-11-17(20(24)22-19(16)10-13)8-9-21-27(25,26)18-5-3-4-15(12-18)14(2)23/h3-7,10-12,21H,8-9H2,1-2H3,(H,22,24).
What are the key properties of 3-acetyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
3-acetyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110414998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).