N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide

C17H18N2O5S — CID 174753543

IUPACN-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1=C(O)C(=O)C(C)(c2cnc3ccccc3c2)O1
InChIInChI=1S/C17H18N2O5S/c1-4-25(22,23)19(3)16-14(20)15(21)17(2,24-16)12-9-11-7-5-6-8-13(11)18-10-12/h5-10,20H,4H2,1-3H3
InChIKeyCFNRKAQWJMUIAA-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.06
Rot. Bonds4

About N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide

N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide (PubChem CID 174753543) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide
PubChem CID174753543
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC NameN-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1=C(O)C(=O)C(C)(c2cnc3ccccc3c2)O1
InChIInChI=1S/C17H18N2O5S/c1-4-25(22,23)19(3)16-14(20)15(21)17(2,24-16)12-9-11-7-5-6-8-13(11)18-10-12/h5-10,20H,4H2,1-3H3
InChIKeyCFNRKAQWJMUIAA-UHFFFAOYSA-N
XLogP2.06
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide?
The IUPAC name of N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide (CID 174753543) is N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide.
What is the SMILES notation for N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide?
The canonical SMILES for N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide is CCS(=O)(=O)N(C)C1=C(O)C(=O)C(C)(c2cnc3ccccc3c2)O1.
What is the InChIKey of N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide?
The InChIKey is CFNRKAQWJMUIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-4-25(22,23)19(3)16-14(20)15(21)17(2,24-16)12-9-11-7-5-6-8-13(11)18-10-12/h5-10,20H,4H2,1-3H3.
What are the key properties of N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide?
N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide has a molecular weight of 362.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide is sourced from PubChem (CID 174753543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).