N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide

C19H20N2O3S — CID 110666149

IUPACN-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCc1ccc2[nH]c(=O)c(C)cc2c1
InChIInChI=1S/C19H20N2O3S/c1-13-5-3-4-6-16(13)12-25(23,24)20-11-15-7-8-18-17(10-15)9-14(2)19(22)21-18/h3-10,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyFIJXZFNWRFDJBG-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.76
Rot. Bonds5

About N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide

N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110666149) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID110666149
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCc1ccc2[nH]c(=O)c(C)cc2c1
InChIInChI=1S/C19H20N2O3S/c1-13-5-3-4-6-16(13)12-25(23,24)20-11-15-7-8-18-17(10-15)9-14(2)19(22)21-18/h3-10,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyFIJXZFNWRFDJBG-UHFFFAOYSA-N
XLogP2.76
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110666154
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]thiophene-2-sulfonamide
CID 110666144
N-[(4-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 38005786
1-(2-methylphenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide
CID 110791248
N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110427813
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110325538
2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzenesulfonamide
CID 110666142
2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide
CID 110618898
1-(2-methylphenyl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]methanesulfonamide
CID 110738581
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110416275
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680
2-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide
CID 110417935

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide (CID 110666149) is N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCc1ccc2[nH]c(=O)c(C)cc2c1.
What is the InChIKey of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is FIJXZFNWRFDJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13-5-3-4-6-16(13)12-25(23,24)20-11-15-7-8-18-17(10-15)9-14(2)19(22)21-18/h3-10,20H,11-12H2,1-2H3,(H,21,22).
What are the key properties of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110666149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).