N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide

C20H22N2O3S — CID 110326434

IUPACN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCc2cc3c(C)cc(C)cc3[nH]c2=O)c1
InChIInChI=1S/C20H22N2O3S/c1-13-5-4-6-17(10-13)26(24,25)21-8-7-16-12-18-15(3)9-14(2)11-19(18)22-20(16)23/h4-6,9-12,21H,7-8H2,1-3H3,(H,22,23)
InChIKeyGHXBFWMFDMPODN-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.97
Rot. Bonds5

About N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide

N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide (PubChem CID 110326434) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide
PubChem CID110326434
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCc2cc3c(C)cc(C)cc3[nH]c2=O)c1
InChIInChI=1S/C20H22N2O3S/c1-13-5-4-6-17(10-13)26(24,25)21-8-7-16-12-18-15(3)9-14(2)11-19(18)22-20(16)23/h4-6,9-12,21H,7-8H2,1-3H3,(H,22,23)
InChIKeyGHXBFWMFDMPODN-UHFFFAOYSA-N
XLogP2.97
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110326425
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110326437
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-ethylbenzenesulfonamide
CID 110326427
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110326441
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110326439
3-acetyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110414998
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide
CID 110325883
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324619
4-bromo-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 4068078
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 110325527
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 110325519
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 4054510

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide (CID 110326434) is N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCCc2cc3c(C)cc(C)cc3[nH]c2=O)c1.
What is the InChIKey of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide?
The InChIKey is GHXBFWMFDMPODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13-5-4-6-17(10-13)26(24,25)21-8-7-16-12-18-15(3)9-14(2)11-19(18)22-20(16)23/h4-6,9-12,21H,7-8H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide?
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 110326434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).