N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide

C20H24N2O4S — CID 71842856

IUPACN-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide
SMILESCOCCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(C)cc(C)c3)ccc21
InChIInChI=1S/C20H24N2O4S/c1-14-10-15(2)12-18(11-14)27(24,25)21-17-5-6-19-16(13-17)4-7-20(23)22(19)8-9-26-3/h5-6,10-13,21H,4,7-9H2,1-3H3
InChIKeyPSFPBWIRTVLAAE-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.03
Rot. Bonds6

About N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide

N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide (PubChem CID 71842856) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide
PubChem CID71842856
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide
SMILESCOCCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(C)cc(C)c3)ccc21
InChIInChI=1S/C20H24N2O4S/c1-14-10-15(2)12-18(11-14)27(24,25)21-17-5-6-19-16(13-17)4-7-20(23)22(19)8-9-26-3/h5-6,10-13,21H,4,7-9H2,1-3H3
InChIKeyPSFPBWIRTVLAAE-UHFFFAOYSA-N
XLogP3.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-methylbenzenesulfonamide
CID 30532671
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 71842864
5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 30532854
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 16826950
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide
CID 16927465
1-(3,5-difluorophenyl)-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide
CID 71842852
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 20933581
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide
CID 16927341
3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927553
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propylbenzenesulfonamide
CID 20933642
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide
CID 16927387
2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927648

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide (CID 71842856) is N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide is COCCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(C)cc(C)c3)ccc21.
What is the InChIKey of N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide?
The InChIKey is PSFPBWIRTVLAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-10-15(2)12-18(11-14)27(24,25)21-17-5-6-19-16(13-17)4-7-20(23)22(19)8-9-26-3/h5-6,10-13,21H,4,7-9H2,1-3H3.
What are the key properties of N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide?
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 71842856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).