4-ethoxy-N-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfamoyl]benzamide

C19H21N3O5S — CID 171138862

IUPAC4-ethoxy-N-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfamoyl]benzamide
SMILESCCOc1ccc(C(=O)NC)cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H21N3O5S/c1-3-27-16-8-4-13(19(24)20-2)11-17(16)28(25,26)22-14-6-7-15-12(10-14)5-9-18(23)21-15/h4,6-8,10-11,22H,3,5,9H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyZFQCRNJJSSPXTE-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.13
Rot. Bonds6

About 4-ethoxy-N-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfamoyl]benzamide

4-ethoxy-N-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfamoyl]benzamide (PubChem CID 171138862) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfamoyl]benzamide
PubChem CID171138862
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name4-ethoxy-N-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfamoyl]benzamide
SMILESCCOc1ccc(C(=O)NC)cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H21N3O5S/c1-3-27-16-8-4-13(19(24)20-2)11-17(16)28(25,26)22-14-6-7-15-12(10-14)5-9-18(23)21-15/h4,6-8,10-11,22H,3,5,9H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyZFQCRNJJSSPXTE-UHFFFAOYSA-N
XLogP2.13
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfamoyl]benzamide?
The IUPAC name of 4-ethoxy-N-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfamoyl]benzamide (CID 171138862) is 4-ethoxy-N-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfamoyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfamoyl]benzamide?
The canonical SMILES for 4-ethoxy-N-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfamoyl]benzamide is CCOc1ccc(C(=O)NC)cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 4-ethoxy-N-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfamoyl]benzamide?
The InChIKey is ZFQCRNJJSSPXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-3-27-16-8-4-13(19(24)20-2)11-17(16)28(25,26)22-14-6-7-15-12(10-14)5-9-18(23)21-15/h4,6-8,10-11,22H,3,5,9H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 4-ethoxy-N-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfamoyl]benzamide?
4-ethoxy-N-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfamoyl]benzamide has a molecular weight of 403.46 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfamoyl]benzamide is sourced from PubChem (CID 171138862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).