N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide

C21H24N2O3S — CID 110326222

IUPACN-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1C
InChIInChI=1S/C21H24N2O3S/c1-13-6-8-19(11-15(13)3)27(25,26)22-10-9-18-12-17-7-5-14(2)16(4)20(17)23-21(18)24/h5-8,11-12,22H,9-10H2,1-4H3,(H,23,24)
InChIKeyFNXLTFGVDVWSEW-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.28
Rot. Bonds5

About N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide

N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 110326222) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide
PubChem CID110326222
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1C
InChIInChI=1S/C21H24N2O3S/c1-13-6-8-19(11-15(13)3)27(25,26)22-10-9-18-12-17-7-5-14(2)16(4)20(17)23-21(18)24/h5-8,11-12,22H,9-10H2,1-4H3,(H,23,24)
InChIKeyFNXLTFGVDVWSEW-UHFFFAOYSA-N
XLogP3.28
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide with MolForge

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Related Compounds

4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 22430774
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110326227
3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 110325232
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110326425
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylthiourea
CID 7136969
4-bromo-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 4068078
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide
CID 4097912
3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666567
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110325136
N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110325811
1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
CID 110326210

Frequently Asked Questions

What is the IUPAC name of N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide (CID 110326222) is N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1C.
What is the InChIKey of N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is FNXLTFGVDVWSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-13-6-8-19(11-15(13)3)27(25,26)22-10-9-18-12-17-7-5-14(2)16(4)20(17)23-21(18)24/h5-8,11-12,22H,9-10H2,1-4H3,(H,23,24).
What are the key properties of N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110326222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).