N-(furan-2-ylmethyl)-N-methyl-6-[(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide

C23H21N3O5S — CID 3239329

IUPACN-(furan-2-ylmethyl)-N-methyl-6-[(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)N(C)Cc3ccco3)c(=O)c2c1
InChIInChI=1S/C23H21N3O5S/c1-15-6-3-4-8-20(15)25-32(29,30)17-9-10-21-18(12-17)22(27)19(13-24-21)23(28)26(2)14-16-7-5-11-31-16/h3-13,25H,14H2,1-2H3,(H,24,27)
InChIKeyXYENWAXMXSMTPB-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.50
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-methyl-6-[(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide

N-(furan-2-ylmethyl)-N-methyl-6-[(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 3239329) has the molecular formula C23H21N3O5S and a molecular weight of 451.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-6-[(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-6-[(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID3239329
Molecular FormulaC23H21N3O5S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-6-[(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)N(C)Cc3ccco3)c(=O)c2c1
InChIInChI=1S/C23H21N3O5S/c1-15-6-3-4-8-20(15)25-32(29,30)17-9-10-21-18(12-17)22(27)19(13-24-21)23(28)26(2)14-16-7-5-11-31-16/h3-13,25H,14H2,1-2H3,(H,24,27)
InChIKeyXYENWAXMXSMTPB-UHFFFAOYSA-N
XLogP3.50
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-6-[(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-6-[(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide (CID 3239329) is N-(furan-2-ylmethyl)-N-methyl-6-[(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-6-[(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-6-[(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide is Cc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)N(C)Cc3ccco3)c(=O)c2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-6-[(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is XYENWAXMXSMTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S/c1-15-6-3-4-8-20(15)25-32(29,30)17-9-10-21-18(12-17)22(27)19(13-24-21)23(28)26(2)14-16-7-5-11-31-16/h3-13,25H,14H2,1-2H3,(H,24,27).
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-6-[(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
N-(furan-2-ylmethyl)-N-methyl-6-[(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-6-[(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3239329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).