6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide

C23H25N3O6S — CID 3243407

IUPAC6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCC4CCCO4)c(=O)c3c2)cc1
InChIInChI=1S/C23H25N3O6S/c1-2-31-16-7-5-15(6-8-16)26-33(29,30)18-9-10-21-19(12-18)22(27)20(14-24-21)23(28)25-13-17-4-3-11-32-17/h5-10,12,14,17,26H,2-4,11,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyCUCGYEQXXYXEJV-UHFFFAOYSA-N
MW471.54 g/mol
LogP2.64
Rot. Bonds8

About 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide

6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide (PubChem CID 3243407) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide
PubChem CID3243407
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC Name6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCC4CCCO4)c(=O)c3c2)cc1
InChIInChI=1S/C23H25N3O6S/c1-2-31-16-7-5-15(6-8-16)26-33(29,30)18-9-10-21-19(12-18)22(27)20(14-24-21)23(28)25-13-17-4-3-11-32-17/h5-10,12,14,17,26H,2-4,11,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyCUCGYEQXXYXEJV-UHFFFAOYSA-N
XLogP2.64
TPSA126.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide (CID 3243407) is 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide is CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCC4CCCO4)c(=O)c3c2)cc1.
What is the InChIKey of 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide?
The InChIKey is CUCGYEQXXYXEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-2-31-16-7-5-15(6-8-16)26-33(29,30)18-9-10-21-19(12-18)22(27)20(14-24-21)23(28)25-13-17-4-3-11-32-17/h5-10,12,14,17,26H,2-4,11,13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide?
6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 2.64, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3243407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).