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

C20H22N2O4S — CID 110325529

IUPACN-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCc1cc2c(C)cc(C)cc2[nH]c1=O
InChIInChI=1S/C20H22N2O4S/c1-12-5-6-18(26-4)19(9-12)27(24,25)21-11-15-10-16-14(3)7-13(2)8-17(16)22-20(15)23/h5-10,21H,11H2,1-4H3,(H,22,23)
InChIKeyAABWGCRZRDBCJX-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.94
Rot. Bonds5

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

N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 110325529) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID110325529
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCc1cc2c(C)cc(C)cc2[nH]c1=O
InChIInChI=1S/C20H22N2O4S/c1-12-5-6-18(26-4)19(9-12)27(24,25)21-11-15-10-16-14(3)7-13(2)8-17(16)22-20(15)23/h5-10,21H,11H2,1-4H3,(H,22,23)
InChIKeyAABWGCRZRDBCJX-UHFFFAOYSA-N
XLogP2.94
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-5-methylbenzenesulfonamide with MolForge

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Related Compounds

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-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 110325510
2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzenesulfonamide
CID 110666142
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110325538
2-methoxy-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61021799
2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]-5-methylbenzenesulfonamide
CID 110779814
2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
CID 94639542
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110326425
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110325332
2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 110734272
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 110326434

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-5-methylbenzenesulfonamide (CID 110325529) is N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCc1cc2c(C)cc(C)cc2[nH]c1=O.
What is the InChIKey of N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is AABWGCRZRDBCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-12-5-6-18(26-4)19(9-12)27(24,25)21-11-15-10-16-14(3)7-13(2)8-17(16)22-20(15)23/h5-10,21H,11H2,1-4H3,(H,22,23).
What are the key properties of N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-5-methylbenzenesulfonamide?
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 110325529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).