N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide

C22H26N2O5S — CID 3304752

IUPACN-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccc(OC)c2[nH]c(=O)c(CCNS(=O)(=O)c3c(C)cc(C)cc3C)cc12
InChIInChI=1S/C22H26N2O5S/c1-13-10-14(2)21(15(3)11-13)30(26,27)23-9-8-16-12-17-18(28-4)6-7-19(29-5)20(17)24-22(16)25/h6-7,10-12,23H,8-9H2,1-5H3,(H,24,25)
InChIKeyHJYWFAMWDIQGBZ-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.99
Rot. Bonds7

About N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide

N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 3304752) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID3304752
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccc(OC)c2[nH]c(=O)c(CCNS(=O)(=O)c3c(C)cc(C)cc3C)cc12
InChIInChI=1S/C22H26N2O5S/c1-13-10-14(2)21(15(3)11-13)30(26,27)23-9-8-16-12-17-18(28-4)6-7-19(29-5)20(17)24-22(16)25/h6-7,10-12,23H,8-9H2,1-5H3,(H,24,25)
InChIKeyHJYWFAMWDIQGBZ-UHFFFAOYSA-N
XLogP2.99
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide with MolForge

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Related Compounds

N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 4054510
1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2,4-dimethylphenyl)thiourea
CID 16798357
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 5070810
2-chloro-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136765
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 5197848
1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-methylphenyl)thiourea
CID 7137023
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110326425
1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-methoxyethyl)thiourea
CID 7080770
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 3314633
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 110326434
4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 3497039
N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 31590226

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide (CID 3304752) is N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide is COc1ccc(OC)c2[nH]c(=O)c(CCNS(=O)(=O)c3c(C)cc(C)cc3C)cc12.
What is the InChIKey of N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is HJYWFAMWDIQGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-13-10-14(2)21(15(3)11-13)30(26,27)23-9-8-16-12-17-18(28-4)6-7-19(29-5)20(17)24-22(16)25/h6-7,10-12,23H,8-9H2,1-5H3,(H,24,25).
What are the key properties of N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 430.53 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 3304752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).