N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide

C18H20N2O4S — CID 75361116

IUPACN-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2
InChIInChI=1S/C18H20N2O4S/c1-18(2)11-17(21)19-14-9-8-12(10-13(14)18)25(22,23)20-15-6-4-5-7-16(15)24-3/h4-10,20H,11H2,1-3H3,(H,19,21)
InChIKeyCGXRFLBKEABSMK-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.12
Rot. Bonds4

About N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide

N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide (PubChem CID 75361116) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
PubChem CID75361116
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2
InChIInChI=1S/C18H20N2O4S/c1-18(2)11-17(21)19-14-9-8-12(10-13(14)18)25(22,23)20-15-6-4-5-7-16(15)24-3/h4-10,20H,11H2,1-3H3,(H,19,21)
InChIKeyCGXRFLBKEABSMK-UHFFFAOYSA-N
XLogP3.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615768
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
N-[2-(2-methylphenoxy)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110604721
3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide
CID 91938558
4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 75361115
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 1289218
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91938462
N-(5-ethyl-2-methoxyphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110777264
N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 16836899

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide (CID 75361116) is N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide is COc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2.
What is the InChIKey of N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
The InChIKey is CGXRFLBKEABSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-18(2)11-17(21)19-14-9-8-12(10-13(14)18)25(22,23)20-15-6-4-5-7-16(15)24-3/h4-10,20H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide is sourced from PubChem (CID 75361116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).