N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C17H20N2O4S — CID 8801198

IUPACN-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESC[C@@H](CCc1ccco1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H20N2O4S/c1-12(4-6-14-3-2-10-23-14)19-24(21,22)15-7-8-16-13(11-15)5-9-17(20)18-16/h2-3,7-8,10-12,19H,4-6,9H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyHBSMWPJADLXRNE-LBPRGKRZSA-N
MW348.42 g/mol
LogP2.46
Rot. Bonds6

About N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 8801198) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID8801198
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESC[C@@H](CCc1ccco1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H20N2O4S/c1-12(4-6-14-3-2-10-23-14)19-24(21,22)15-7-8-16-13(11-15)5-9-17(20)18-16/h2-3,7-8,10-12,19H,4-6,9H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyHBSMWPJADLXRNE-LBPRGKRZSA-N
XLogP2.46
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440
N-[4-(furan-2-yl)butan-2-yl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 46335942
N-[4-(furan-2-yl)butan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61248919
3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide
CID 39949050
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
CID 65482008
2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55383913
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8800124
methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate
CID 41012958
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid
CID 16762964
N-[2-[tert-butyl(furan-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 46335974
N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 43535866
N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46557664

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 8801198) is N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is C[C@@H](CCc1ccco1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is HBSMWPJADLXRNE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12(4-6-14-3-2-10-23-14)19-24(21,22)15-7-8-16-13(11-15)5-9-17(20)18-16/h2-3,7-8,10-12,19H,4-6,9H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 348.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 8801198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).