N-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide

C16H20N2O2S — CID 46556061

IUPACN-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1ccc(C)c2ncccc12
InChIInChI=1S/C16H20N2O2S/c1-5-18(11-12(2)3)21(19,20)15-9-8-13(4)16-14(15)7-6-10-17-16/h6-10H,2,5,11H2,1,3-4H3
InChIKeyJDVVJZPPCSCUPF-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.13
Rot. Bonds5

About N-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide

N-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide (PubChem CID 46556061) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide
PubChem CID46556061
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1ccc(C)c2ncccc12
InChIInChI=1S/C16H20N2O2S/c1-5-18(11-12(2)3)21(19,20)15-9-8-13(4)16-14(15)7-6-10-17-16/h6-10H,2,5,11H2,1,3-4H3
InChIKeyJDVVJZPPCSCUPF-UHFFFAOYSA-N
XLogP3.13
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate
CID 52708492
N-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide
CID 113317123
N-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide
CID 120664348
N-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide
CID 104774193
N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide
CID 46634659
2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide
CID 38276554
2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide
CID 60539907
N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
CID 78787053
N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide
CID 39792493
2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61112904
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
N,N-diethyl-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide
CID 55544877

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide?
The IUPAC name of N-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide (CID 46556061) is N-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide.
What is the SMILES notation for N-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide?
The canonical SMILES for N-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide is C=C(C)CN(CC)S(=O)(=O)c1ccc(C)c2ncccc12.
What is the InChIKey of N-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide?
The InChIKey is JDVVJZPPCSCUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-5-18(11-12(2)3)21(19,20)15-9-8-13(4)16-14(15)7-6-10-17-16/h6-10H,2,5,11H2,1,3-4H3.
What are the key properties of N-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide?
N-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide is sourced from PubChem (CID 46556061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).