N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide

C19H22N2O3S — CID 40889537

IUPACN-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide
SMILESCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3cccc(C)c3)ccc21
InChIInChI=1S/C19H22N2O3S/c1-3-21-18-9-8-17(12-16(18)7-10-19(21)22)20-25(23,24)13-15-6-4-5-14(2)11-15/h4-6,8-9,11-12,20H,3,7,10,13H2,1-2H3
InChIKeyLEYACHMTQBHSNI-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.24
Rot. Bonds5

About N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide

N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide (PubChem CID 40889537) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide
PubChem CID40889537
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide
SMILESCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3cccc(C)c3)ccc21
InChIInChI=1S/C19H22N2O3S/c1-3-21-18-9-8-17(12-16(18)7-10-19(21)22)20-25(23,24)13-15-6-4-5-14(2)11-15/h4-6,8-9,11-12,20H,3,7,10,13H2,1-2H3
InChIKeyLEYACHMTQBHSNI-UHFFFAOYSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 40889539
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide
CID 16927387
N-(1-ethyl-2-oxo-3H-indol-5-yl)-1-(3-methoxyphenyl)methanesulfonamide
CID 41342478
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea
CID 30376245
1-butyl-6-[(3-methylphenyl)methylsulfonylmethyl]-3,4-dihydroquinolin-2-one
CID 159745597
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide
CID 16927465
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-methylbenzenesulfonamide
CID 30532671
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-methylthiophene-2-sulfonamide
CID 40889525
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide
CID 40889543
3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927553
1-(3,5-difluorophenyl)-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide
CID 71842852
N-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110726218

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide (CID 40889537) is N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide is CCN1C(=O)CCc2cc(NS(=O)(=O)Cc3cccc(C)c3)ccc21.
What is the InChIKey of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is LEYACHMTQBHSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-21-18-9-8-17(12-16(18)7-10-19(21)22)20-25(23,24)13-15-6-4-5-14(2)11-15/h4-6,8-9,11-12,20H,3,7,10,13H2,1-2H3.
What are the key properties of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide?
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 40889537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).