N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide

C23H22N2O4S — CID 1168700

IUPACN-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C23H22N2O4S/c1-16-10-11-17(2)22-21(16)13-18(23(26)24-22)14-25(15-19-7-6-12-29-19)30(27,28)20-8-4-3-5-9-20/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyJUZDPFFDCISQPI-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.13
Rot. Bonds6

About N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide

N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 1168700) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID1168700
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC NameN-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C23H22N2O4S/c1-16-10-11-17(2)22-21(16)13-18(23(26)24-22)14-25(15-19-7-6-12-29-19)30(27,28)20-8-4-3-5-9-20/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyJUZDPFFDCISQPI-UHFFFAOYSA-N
XLogP4.13
TPSA83.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide with MolForge

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Related Compounds

methyl 4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate
CID 1162202
1-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)thiourea
CID 1140405
N-(furan-2-ylmethyl)-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164892
1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(furan-2-ylmethyl)thiourea
CID 1136688
3-chloro-N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1146884
N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1168773
1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-ethoxypropyl)-1-(furan-2-ylmethyl)thiourea
CID 3177020
3-[[[(1S)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1436863
N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluorobenzenesulfonamide
CID 1162220
4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 1165373
N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide
CID 2563703
methyl 4-[furan-2-ylmethyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 1146897

Frequently Asked Questions

What is the IUPAC name of N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide (CID 1168700) is N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide is Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccccc3)cc12.
What is the InChIKey of N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is JUZDPFFDCISQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-16-10-11-17(2)22-21(16)13-18(23(26)24-22)14-25(15-19-7-6-12-29-19)30(27,28)20-8-4-3-5-9-20/h3-13H,14-15H2,1-2H3,(H,24,26).
What are the key properties of N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 422.51 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 1168700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).